N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V022-6972 |
| Compound Name: | N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 558.69 |
| Molecular Formula: | C28 H31 F N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N(CC1CCCO1)CC(N1CCc2c(ccs2)C1COc1ccccc1F)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9214 |
| logD: | 4.9214 |
| logSw: | -4.5238 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.92 |
| InChI Key: | JUDITFRQUKYAKR-UHFFFAOYSA-N |