-
Name
Atorvastatin Related Compound D (20 mg) (Epoxide impurity, or 3-(4-Fluorobenzoyl)-2-isobutyryl-3-phenyl-oxirane-2- carboxylic acid phenylamide)
- EINECS
- CAS No. 148146-51-4
- Article Data4
- CAS DataBase
- Density 1.308 g/cm3
- Solubility
- Melting Point
- Formula C26H22FNO4
- Boiling Point 646.611 °C at 760 mmHg
- Molecular Weight 431.46
- Flash Point 344.858 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-(4-Fluorobenzoyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide;
- PSA 79.26000
- LogP 5.18620
Oxiranecarboxamide,3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl- Specification
The Oxiranecarboxamide,3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl- has the CAS registry number 148146-51-4. This chemical's molecular formula is C26H22FNO4 and molecular weight is 431.46. What's more, its systematic name is 3-(4-Fluorobenzoyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide.
Physical properties of Oxiranecarboxamide,3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl- are: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 75.77 Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 116.905 cm3; (9)Molar Volume: 329.783 cm3; (10)Polarizability: 46.345×10-24 cm3; (11)Surface Tension: 56.549 dyne/cm; (12)Density: 1.308 g/cm3; (13)Flash Point: 344.858 °C; (14)Enthalpy of Vaporization: 95.363 kJ/mol; (15)Boiling Point: 646.611 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(C)C)C3(OC3(c1ccccc1)C(=O)c2ccc(F)cc2)C(=O)Nc4ccccc4
(2)InChI: InChI=1/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)
(3)InChIKey: AAEQXEDPVFIFDK-UHFFFAOYSA-N
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