Basic information
- Standard SMILES
O=C(N[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)OCc1ccccc1- InChIKey
XHXDYFBTOSBVOR-QGZVFWFLSA-N- Molecular formula
- C21H18ClF3N4O3
- Average molar mass
- 466.8 g/mol
- Monoisotopic mass
- 466.1019526
Names & identifiers
- Preferred name
- (R)-Benzyl 4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-ylcarbamate
- IUPAC
- benzyl N-[(7R)-4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]carbamate
Names & synonyms
(R)-Benzyl 4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-ylcarbamateSCHEMBL2211139Benzyl [(7R)-4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl]carbamateBenzyl[(7R)-4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl]carbamate
Database identifiers
- PubChem CID
- 59732091
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Related reactions
5 records
Compound notes
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