3-(2H-1,3-benzodioxol-5-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | 4100-1594 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | Cc1ccnc(NS(c2ccc(cc2)NC(/C=C/c2ccc3c(c2)OCO3)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9973 |
| logD: | 2.3856 |
| logSw: | -3.4726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.825 |
| InChI Key: | MBVZGBJUMBTBFZ-UHFFFAOYSA-N |