Oprea1_206046
1-(4-chlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea
Also Known As: Oprea1_206046|F0820-0078|1-(4-chlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea|3-{p-[3-(p-chlorophenyl)ureido]phenyl}-1,2,3a-triaza-5,6,7,8-tetrahydro-4H-azulene|1-(4-chlorophenyl)-3-(4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl)urea|N-(4-(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-yl)phenyl)[(4-chlo rophenyl)amino]carboxamide
CAS: 397290-99-2
| Molecular Formula | C20H20ClN5O |
|---|---|
| Molecular Weight | 381.13565 g/mol |
| LogP | 4.9689 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.13565 |
| Monoisotopic Mass | 381.13565 |
| Heavy Atoms | 27 |
| Complexity | 934.01086 |
Chemical Identifiers
| CAS Number | 397290-99-2 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
Oprea1_206046 (CAS 397290-99-2), with molecular formula C20H20ClN5O and molecular weight 381.13565 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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