ethyl 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}glycinate
Chemical Structure Depiction of
ethyl 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}glycinate
ethyl 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}glycinate
Compound characteristics
| Compound ID: | G281-0401 |
| Compound Name: | ethyl 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}glycinate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | CCOC(CNC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7858 |
| logD: | 6.7858 |
| logSw: | -5.5489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.696 |
| InChI Key: | VGVRXAPAUHGTEF-SANMLTNESA-N |