N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V011-5083 |
| Compound Name: | N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 591.15 |
| Molecular Formula: | C28 H31 Cl N2 O6 S2 |
| Smiles: | COc1ccc(cc1)S(N(CC1CCCO1)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8726 |
| logD: | 4.8726 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.377 |
| InChI Key: | YOYIDUCYIYDCOA-UHFFFAOYSA-N |