methyl N-{4-[4-(propan-2-yl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{4-[4-(propan-2-yl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate
methyl N-{4-[4-(propan-2-yl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | G281-0405 |
| Compound Name: | methyl N-{4-[4-(propan-2-yl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2c2c(CN1C(NCCC(=O)OC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6228 |
| logD: | 6.6228 |
| logSw: | -5.5957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.957 |
| InChI Key: | KVXZQXSCAGOQRL-SANMLTNESA-N |