ethyl 3-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
ethyl 3-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G281-1437 |
| Compound Name: | ethyl 3-{[4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1244 |
| logD: | 7.1244 |
| logSw: | -5.5617 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.968 |
| InChI Key: | QHBHUXQSAXHOBA-XMMPIXPASA-N |