4-chloro-N-(2-{4-[(3-methoxyphenoxy)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-[(3-methoxyphenoxy)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-[(3-methoxyphenoxy)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: | V030-3704 |
| Compound Name: | 4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 591.15 |
| Molecular Formula: | C28 H31 Cl N2 O6 S2 |
| Smiles: | COc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9378 |
| logD: | 4.9378 |
| logSw: | -4.9353 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.377 |
| InChI Key: | VTIJLEOELLSUEX-UHFFFAOYSA-N |