N-benzyl-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-benzyl-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1061 |
| Compound Name: | N-benzyl-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C24 H21 N3 O S |
| Smiles: | C(c1ccccc1)NC(N1Cc2ccccc2n2cccc2C1c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1472 |
| logD: | 5.1472 |
| logSw: | -5.3425 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9115 |
| InChI Key: | MQTGCYXDRRBLEE-QHCPKHFHSA-N |