N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-(3-nitrophenyl)prop-2-enamide
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1249 |
| Compound Name: | N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C20 H17 N5 O5 S |
| Smiles: | Cc1ccnc(NS(c2ccc(cc2)NC(/C=C/c2cccc(c2)[N+]([O-])=O)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9089 |
| logD: | 2.2971 |
| logSw: | -3.5495 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.091 |
| InChI Key: | KWPZWTYFPWXERH-UHFFFAOYSA-N |