4-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
4-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V022-9601 |
| Compound Name: | 4-chloro-N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 589.17 |
| Molecular Formula: | C29 H33 Cl N2 O5 S2 |
| Smiles: | Cc1ccc(c(C)c1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1392 |
| logD: | 6.1392 |
| logSw: | -6.0858 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.92 |
| InChI Key: | HTVOQRLHAALSRF-UHFFFAOYSA-N |