N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-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-methyl-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-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V022-6777 |
| Compound Name: | N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 545.12 |
| Molecular Formula: | C27 H29 Cl N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(N(CC=C)CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4655 |
| logD: | 6.4655 |
| logSw: | -6.2904 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.429 |
| InChI Key: | SGEOPJKFOPRWQM-VWLOTQADSA-N |