N-(butan-2-yl)-4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)benzene-1-sulfonamide
N-(butan-2-yl)-4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V024-6977 |
| Compound Name: | N-(butan-2-yl)-4-chloro-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)benzene-1-sulfonamide |
| Molecular Weight: | 547.14 |
| Molecular Formula: | C27 H31 Cl N2 O4 S2 |
| Smiles: | CCC(C)N(CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4514 |
| logD: | 6.4514 |
| logSw: | -6.2478 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.817 |
| InChI Key: | JHGDGWZOMYVVKL-UHFFFAOYSA-N |