N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V021-4168 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide |
| Molecular Weight: | 514.57 |
| Molecular Formula: | C26 H27 F N2 O6 S |
| Salt: | not_available |
| Smiles: | COc1cc(CN2CCC(CC2)N(c2ccc3c(c2)OCO3)S(c2ccc(cc2)F)(=O)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.2653 |
| logD: | 2.8791 |
| logSw: | -3.9461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.018 |
| InChI Key: | BPBMYPDYDBFORQ-UHFFFAOYSA-N |