Basic information
- Standard SMILES
CC(=O)OCCN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21- InChIKey
PIZWFZZVNKETSS-UHFFFAOYSA-N- Molecular formula
- C24H26FN3O5
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.1856491
Names & identifiers
- Preferred name
- (3RS)-1-(2-acetoxyethyl)-3-tert-butoxycarbonylamino-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- IUPAC
- 2-[5-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl acetate
Names & synonyms
SCHEMBL8536728PIZWFZZVNKETSS-UHFFFAOYSA-N(3RS)-1-(2-acetoxyethyl)-3-tert-butoxycarbonylamino-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 19081175
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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