methyl N-[4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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: | G281-1152 |
| Compound Name: | methyl N-[4-(3-methoxyphenyl)-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: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | COC(CCNC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3048 |
| logD: | 5.3048 |
| logSw: | -5.1989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.501 |
| InChI Key: | BXDRVWZMTWEQDL-DEOSSOPVSA-N |