4-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzene-1-sulfonamide
4-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V021-8383 |
| Compound Name: | 4-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzene-1-sulfonamide |
| Molecular Weight: | 565.13 |
| Molecular Formula: | C27 H30 Cl F N2 O4 S2 |
| Smiles: | CC(C)CCN(CC(N1CCc2c(ccs2)C1COc1ccccc1F)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6458 |
| logD: | 6.6458 |
| logSw: | -6.3082 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.516 |
| InChI Key: | XKVFBVPHWJDIQP-DEOSSOPVSA-N |