ethyl 2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
ethyl 2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1024 |
| Compound Name: | ethyl 2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(N1Cc2ccccc2n2cccc2C1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0489 |
| logD: | 6.0488 |
| logSw: | -5.5428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.645 |
| InChI Key: | GUHWFRLIFBSYNN-DEOSSOPVSA-N |