ethyl 2-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C794-1029 |
| Compound Name: | ethyl 2-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 526.72 |
| Molecular Formula: | C27 H34 N4 O3 S2 |
| Smiles: | CCN1CCc2c(C(C)NC(Nc3c(C(=O)OCC)c4CCCCc4s3)=O)c(n3cccc3)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5019 |
| logD: | 5.5019 |
| logSw: | -5.2466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.941 |
| InChI Key: | JNAHSFRKKLRWEJ-KRWDZBQOSA-N |