ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C513-0029 |
| Compound Name: | ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 338.75 |
| Molecular Formula: | C14 H15 Cl N4 O4 |
| Smiles: | CCOC(c1cn(CC(Nc2ccc(c(c2)[Cl])OC)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0183 |
| logD: | 2.0181 |
| logSw: | -2.9776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.285 |
| InChI Key: | HIRREAWYRDDYQA-UHFFFAOYSA-N |