N-[3-(methylsulfanyl)phenyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
Compound ID: | G118-0565 |
Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
Molecular Weight: | 471.64 |
Molecular Formula: | C27 H25 N3 O S2 |
Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.9407 |
logD: | 6.9407 |
logSw: | -5.664 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 26.571 |
InChI Key: | RTXASBMWXHCRQL-AREMUKBSSA-N |