methyl N-({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)-beta-alaninate
methyl N-({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E635-0294 |
| Compound Name: | methyl N-({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C23 H34 N4 O3 S |
| Smiles: | CC(C)CCC(c1c2CCN(C)Cc2sc1n1cccc1)NC(NCCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3148 |
| logD: | 0.7551 |
| logSw: | -3.7587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.893 |
| InChI Key: | KDFLEWJMZHMFJF-SFHVURJKSA-N |