methyl N-(4-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-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-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: | G281-0571 |
| Compound Name: | methyl N-(4-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: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | COC(CCNC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2889 |
| logD: | 5.2889 |
| logSw: | -5.1662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.957 |
| InChI Key: | LUIOBAMZOYOYGG-QHCPKHFHSA-N |