ethyl N-({[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)-beta-alaninate
ethyl N-({[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | C700-1737 |
| Compound Name: | ethyl N-({[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CCN1CCc2c(CNC(NCCC(=O)OCC)=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.4912 |
| logD: | 0.5758 |
| logSw: | -2.4804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.903 |
| InChI Key: | KXCQYGPOUULXJL-UHFFFAOYSA-N |