(R)-Benzyl 4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-ylcarbamate

HCID 59732091

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

Related reactions

5 records

Compound notes

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