N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V019-3067 |
| Compound Name: | N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 561.12 |
| Molecular Formula: | C27 H29 Cl N2 O5 S2 |
| Smiles: | Cc1cc(ccc1[Cl])OCC1c2ccsc2CCN1C(CN(CC=C)S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0245 |
| logD: | 6.0245 |
| logSw: | -6.1482 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.973 |
| InChI Key: | MZUAQRYHJRHCBA-VWLOTQADSA-N |