Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O- InChIKey
OLAWKIXMZBLQNX-UHFFFAOYSA-N- Molecular formula
- C20H20FN3O3
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- (3RS)-3-tert-butoxycarbonylamino-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one
- IUPAC
- tert-butyl N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
Names & synonyms
SCHEMBL8535202OLAWKIXMZBLQNX-UHFFFAOYSA-N(3RS)-3-tert-butoxycarbonylamino-2,3-dihydro-5- (2-fluorophenyl)-1H-1,4-benzodiazepin-2-one(3RS)-3-tert-butoxycarbonylamino-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one(3RS)-3-tert-butoxycarbonylamino-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 19081122
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 602
Related reactions
6 records
Compound notes
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