methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1606 |
| Compound Name: | methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 330.3 |
| Molecular Formula: | C15 H14 N4 O5 |
| Smiles: | Cc1cc(C)nc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1313 |
| logD: | 1.6332 |
| logSw: | -2.6874 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.203 |
| InChI Key: | SPZTXXQRBGSYID-UHFFFAOYSA-N |