dimethyl 1-{2-[(3-chloro-2-methylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(3-chloro-2-methylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-[(3-chloro-2-methylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-1942 |
| Compound Name: | dimethyl 1-{2-[(3-chloro-2-methylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 409.78 |
| Molecular Formula: | C16 H16 Cl N5 O6 |
| Smiles: | Cc1c(cccc1[Cl])NC(NC(Cn1c(C(=O)OC)c(C(=O)OC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5941 |
| logD: | 1.5529 |
| logSw: | -2.5114 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.164 |
| InChI Key: | MZWBPEMQTDKRQJ-UHFFFAOYSA-N |