4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzene-1-sulfonamide
4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V007-1307 |
| Compound Name: | 4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 531.09 |
| Molecular Formula: | C26 H27 Cl N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC=C)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7809 |
| logD: | 5.7809 |
| logSw: | -5.9632 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.429 |
| InChI Key: | CCMOKFFNNRDMRI-DEOSSOPVSA-N |