ethyl N-{4-[4-(methylsulfanyl)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-(methylsulfanyl)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-(methylsulfanyl)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: | G281-0318 |
| Compound Name: | ethyl N-{4-[4-(methylsulfanyl)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: | 495.66 |
| Molecular Formula: | C26 H29 N3 O3 S2 |
| Smiles: | CCOC(CNC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.167 |
| logD: | 6.167 |
| logSw: | -5.3663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.696 |
| InChI Key: | IKXUEQBMYJDXML-DEOSSOPVSA-N |