N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V021-3722 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-fluoro-N-{1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C28 H31 F N2 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CN2CCC(CC2)N(c2ccc3c(c2)OCO3)S(c2ccc(cc2)F)(=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0569 |
| logD: | 3.6471 |
| logSw: | -4.8191 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.904 |
| InChI Key: | UJLRCLWVWOKYFH-UHFFFAOYSA-N |