N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-N-propylbenzene-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-propylbenzene-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-propylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V022-0827 |
| 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-propylbenzene-1-sulfonamide |
| Molecular Weight: | 547.14 |
| Molecular Formula: | C27 H31 Cl N2 O4 S2 |
| Smiles: | CCCN(CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7467 |
| logD: | 6.7467 |
| logSw: | -6.405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.429 |
| InChI Key: | BSRDSUBHWZWDFY-VWLOTQADSA-N |