Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3H)-yl]-,ethyl ester supplier

Name
ethyl 4-[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]benzoate
EINECS
CAS No. 7542-46-3
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₃N₅O₄
Boiling Point
Molecular Weight 385.42
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-[octahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2-yl]-,ethyl ester (9CI);Benzoic acid,p-[octahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2-yl]-,ethyl ester (7CI,8CI);NSC 105280;ethyl 4-[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]benzoate;
PSA
LogP

Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3H)-yl]-,ethyl ester Specification

The Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3H)-yl]-,ethyl ester has the CAS registry number 7542-46-3. This chemical's molecular formula is C₁₉H₂₃N₅O₄ and molecular weight is 385.42. What's more, its systematic name is ethyl 4-[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]benzoate.

Physical properties of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3H)-yl]-,ethyl ester are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 76.64 Å²; (7)Index of Refraction: 1.664; (8)Molar Refractivity: 101.26 cm³; (9)Molar Volume: 272.8 cm³; (10)Polarizability: 40.14×10^-24 cm³; (11)Surface Tension: 69.3 dyne/cm; (12)Density: 1.41 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1N\C=C(/C(=O)N1)C3N(c2ccc(C(=O)OCC)cc2)CC4N3CCNC4
(2)InChI: InChI=1/C19H23N5O4/c1-2-28-18(26)12-3-5-13(6-4-12)24-11-14-9-20-7-8-23(14)17(24)15-10-21-19(27)22-16(15)25/h3-6,10,14,17,20H,2,7-9,11H2,1H3,(H2,21,22,25,27)
(3)InChIKey: TYYHKCWDXHSXOZ-UHFFFAOYAM

Product Name

ethyl 4-[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]benzoate

Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3H)-yl]-,ethyl ester Specification

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