N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzenesulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzenesulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzenesulfonamide
Compound characteristics
| Compound ID: | V026-5180 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzenesulfonamide |
| Molecular Weight: | 538.58 |
| Molecular Formula: | C27 H26 N2 O8 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(CN(Cc2ccc3c(c2)OCO3)S(c2ccccc2)(=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4556 |
| logD: | 4.4556 |
| logSw: | -4.3941 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.466 |
| InChI Key: | XUZSCHGFWUPENO-UHFFFAOYSA-N |