N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V002-2224 |
| Compound Name: | N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 513.03 |
| Molecular Formula: | C27 H26 Cl F N2 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])OCC1c2ccsc2CCN1C(CN(CC=C)C(c1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9214 |
| logD: | 5.9214 |
| logSw: | -5.979 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.265 |
| InChI Key: | VHXMPGYUUMIUAP-DEOSSOPVSA-N |