methyl N-[4-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | G281-0654 |
| Compound Name: | methyl N-[4-(4-methylphenyl)-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: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1c2cccn2c2c(CN1C(NCCC(=O)OC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.708 |
| logD: | 5.708 |
| logSw: | -5.2719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.957 |
| InChI Key: | LKJJUCRQNORVDJ-DEOSSOPVSA-N |