dimethyl 1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0056 |
| Compound Name: | dimethyl 1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C17 H20 N4 O5 |
| Smiles: | CC(C)c1ccc(cc1)NC(Cn1c(C(=O)OC)c(C(=O)OC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2257 |
| logD: | 2.2257 |
| logSw: | -2.8491 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.472 |
| InChI Key: | WKSRTIGMTWJUJD-UHFFFAOYSA-N |