3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoic acid
Chemical Structure Depiction of
3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoic acid
3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoic acid
Compound characteristics
| Compound ID: | Y031-9297 |
| Compound Name: | 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoic acid |
| Molecular Weight: | 457.42 |
| Molecular Formula: | C19 H15 N5 O7 S |
| Smiles: | Cc1ccnc(NS(c2ccc(cc2)NC(c2cc(cc(c2)[N+]([O-])=O)C(O)=O)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2798 |
| logD: | -1.9065 |
| logSw: | -2.9731 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 145.713 |
| InChI Key: | XXXUZZAXDYNMDX-UHFFFAOYSA-N |