ethyl 1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C513-0003 |
| Compound Name: | ethyl 1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C14 H16 N4 O3 |
| Smiles: | CCOC(c1cn(CC(Nc2cccc(C)c2)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8677 |
| logD: | 1.8677 |
| logSw: | -2.3827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.655 |
| InChI Key: | CCFWFJYXZJBQNQ-UHFFFAOYSA-N |