Basic information
- Standard SMILES
CCOC(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21- InChIKey
SSEZHOJFYUQSQL-UHFFFAOYSA-N- Molecular formula
- C24H26FN3O5
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- (3RS)-1-ethoxycarbonylmethyl-3-tert-butoxycarbonylamino-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- IUPAC
- ethyl 2-[5-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Names & synonyms
SCHEMBL8537020SSEZHOJFYUQSQL-UHFFFAOYSA-N(3RS)-1-ethoxycarbonylmethyl-3-tert-butoxycarbonylamino-5-(2-fluorophenyl)-2,3-dihydro-1H -1,4-benzo-diazepin-2-one(3RS)-1-ethoxycarbonylmethyl-3-tert-butoxycarbonylamino-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 19081166
Properties
Computed structural properties
- XLogP
- 3.8
- 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
4 records
Compound notes
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