methyl 2-({4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate
methyl 2-({4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | G118-0514 |
| Compound Name: | methyl 2-({4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C28 H25 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6004 |
| logD: | 6.6002 |
| logSw: | -5.783 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.047 |
| InChI Key: | YITXTZZCFANWGS-AREMUKBSSA-N |