dimethyl 2-[(4-ethyl-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-ethyl-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-ethyl-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: | G281-1521 |
| Compound Name: | dimethyl 2-[(4-ethyl-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: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | CCC1c2cccn2c2c(CN1C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2258 |
| logD: | 6.2249 |
| logSw: | -5.4355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.817 |
| InChI Key: | AWZWCFOMFBMXHV-OAQYLSRUSA-N |