4-(2-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-(2-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-(2-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
Compound ID: | G118-2088 |
Compound Name: | 4-(2-methylphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
Molecular Weight: | 439.58 |
Molecular Formula: | C27 H25 N3 O S |
Smiles: | Cc1ccccc1C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.6523 |
logD: | 6.6523 |
logSw: | -5.617 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 26.571 |
InChI Key: | RJLZRVDXSVPKEM-AREMUKBSSA-N |