-
Name
Declenperone
- EINECS
- CAS No. 63388-37-4
- Article Data2
- CAS DataBase
- Density 1.226 g/cm3
- Solubility
- Melting Point
- Formula C22H24FN3O2
- Boiling Point
- Molecular Weight 381.185255
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Declenperone;NSC 328505;
- PSA 58.10000
- LogP 3.39160
Declenperone Specification
The Declenperone, with the CAS registry number 63388-37-4, is also known as 1-(3-(4-(4-Fluorbenzoyl)piperidino)propyl)-2,3-dihydro-2-benzimidazolon. This chemical's molecular formula is C22H24FN3O2 and molecular weight is 381.185255. Its IUPAC name is called 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one. This chemical's classification code is Sedative [veterinary].
Physical properties of Declenperone: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 25.78; (7)ACD/KOC (pH 5.5): 4.04; (8)ACD/KOC (pH 7.4): 189.93; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 104.48 cm3; (14)Molar Volume: 310.9 cm3; (15)Surface Tension: 46.9 dyne/cm; (16)Density: 1.226 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCN3C4=CC=CC=C4NC3=O
(2)InChI: InChI=1S/C22H24FN3O2/c23-18-8-6-16(7-9-18)21(27)17-10-14-25(15-11-17)12-3-13-26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-9,17H,3,10-15H2,(H,24,28)
(3)InChIKey: VNLMLHDKNUIWNM-UHFFFAOYSA-N
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