methyl 4-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 4-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1051 |
| Compound Name: | methyl 4-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(N1Cc2ccccc2n2cccc2C1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4754 |
| logD: | 5.4754 |
| logSw: | -5.4973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.763 |
| InChI Key: | LSWQQGXTJLTOOH-QHCPKHFHSA-N |