methyl N-[4-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-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: | G281-0820 |
Compound Name: | methyl N-[4-(4-ethylphenyl)-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: | 477.63 |
Molecular Formula: | C27 H31 N3 O3 S |
Smiles: | CCc1ccc(cc1)C1c2cccn2c2c(CN1C(NCCC(=O)OC)=O)c1CCCCc1s2 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2152 |
logD: | 6.2152 |
logSw: | -5.3329 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.957 |
InChI Key: | VEYKOYWFAPPSBG-VWLOTQADSA-N |