dimethyl 2-{[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}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[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}benzene-1,4-dicarboxylate
dimethyl 2-{[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}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G281-1438 |
| Compound Name: | dimethyl 2-{[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}benzene-1,4-dicarboxylate |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Smiles: | CC(C)C1c2cccn2c2c(CN1C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5533 |
| logD: | 6.5524 |
| logSw: | -5.5883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.865 |
| InChI Key: | UQMCNEAXNMTLAH-XMMPIXPASA-N |