diethyl 1-{2-[(3-ethylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[(3-ethylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[(3-ethylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-1953 |
| Compound Name: | diethyl 1-{2-[(3-ethylphenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C19 H23 N5 O6 |
| Smiles: | CCc1cccc(c1)NC(NC(Cn1c(C(=O)OCC)c(C(=O)OCC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2762 |
| logD: | 2.276 |
| logSw: | -2.8773 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.022 |
| InChI Key: | NWNOBQUVELGLCB-UHFFFAOYSA-N |