Basic information
- Standard SMILES
CCOC(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2F)c2ccccc21- InChIKey
SRQIISQFJKFVGH-UHFFFAOYSA-N- Molecular formula
- C27H25FN4O4
- Average molar mass
- 488.5 g/mol
Names & identifiers
- Preferred name
- N-[(3RS)-1-ethoxycarbonylmethyl-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
- IUPAC
- ethyl 2-[5-(2-fluorophenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Names & synonyms
SCHEMBL8533798SRQIISQFJKFVGH-UHFFFAOYSA-NN-[(3RS)-1-ethoxycarbonylmethyl-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl ]-N'-(3-methylphenyl)ureaN-[(3RS)-2,3-dihydro-1-ethoxycarbonylmethyl-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
Database identifiers
- PubChem CID
- 19081146
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 837
Related reactions
4 records
Compound notes
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