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Basic information
- Standard SMILES
COc1cccc2c1N(Cc1ccc(C(=O)N3CC=CC3)cc1)C(=O)CN(C(=O)c1ccc(Cl)cc1)C2- InChIKey
NJBCRLRNVZLPPA-UHFFFAOYSA-N- Molecular formula
- C29H26ClN3O4
- Average molar mass
- 516 g/mol
Names & identifiers
- Preferred name
- 4-(4-chlorobenzoyl)-1-[4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benzyl]-9-methoxy-1,3,4,5-tetrahydrobenzo[e][1,4]-diazepin-2-on
- IUPAC
- 4-(4-chlorobenzoyl)-1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-9-methoxy-3,5-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL6776204NJBCRLRNVZLPPA-UHFFFAOYSA-N4-(4-chlorobenzoyl)-1-[4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benzyl]-9-methoxy-1,3,4,5-tetrahydrobenzo[e][1,4]-diazepin-2-on4-(4-chlorobenzoyl)-1-[4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benzyl]-9-methoxy-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on
Database identifiers
- PubChem CID
- 22632579
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 857
Related reactions
3 records
Compound notes
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