N-[(3-methoxyphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[(3-methoxyphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
Compound ID: | G118-0559 |
Compound Name: | N-[(3-methoxyphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
Molecular Weight: | 469.61 |
Molecular Formula: | C28 H27 N3 O2 S |
Smiles: | COc1cccc(CNC(N2Cc3ccccc3n3cccc3C2c2ccc(cc2)SC)=O)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.3396 |
logD: | 6.3396 |
logSw: | -5.5477 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 35.437 |
InChI Key: | ZZPJZYAUKCNJFU-HHHXNRCGSA-N |