1-{4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-sulfonyl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-sulfonyl]phenyl}ethan-1-one
1-{4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-sulfonyl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | L222-0217 |
| Compound Name: | 1-{4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-sulfonyl]phenyl}ethan-1-one |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C27 H24 N2 O3 S |
| Smiles: | CC(c1ccc(cc1)S(N1Cc2ccccc2n2cccc2C1c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5309 |
| logD: | 5.5309 |
| logSw: | -5.5382 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.417 |
| InChI Key: | HMLBSKMWJCMCLB-HHHXNRCGSA-N |