Basic information
- Standard SMILES
Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)O)C2=O)c1- InChIKey
QDBCJYVGTSNXBD-UHFFFAOYSA-N- Molecular formula
- C25H21FN4O4
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- N-[(3RS)-1-hydroxycarbonylmethyl-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
- IUPAC
- 2-[5-(2-fluorophenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
SCHEMBL8534720QDBCJYVGTSNXBD-UHFFFAOYSA-NN-[(3RS)-1-carboxymethyl-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)ureaN-[(3RS)-1-hydroxycarbonylmethyl-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
Database identifiers
- PubChem CID
- 19081198
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 806
Related reactions
3 records
Compound notes
Loading…