methyl N-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)-beta-alaninate
methyl N-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E635-0429 |
| Compound Name: | methyl N-({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 460.64 |
| Molecular Formula: | C24 H36 N4 O3 S |
| Smiles: | CCN1CCc2c(C(CCC(C)C)NC(NCCC(=O)OC)=O)c(n3cccc3)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8973 |
| logD: | 1.1841 |
| logSw: | -3.8774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.953 |
| InChI Key: | OCCFPJXCBAFACZ-IBGZPJMESA-N |