ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C513-0017 |
| Compound Name: | ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 322.75 |
| Molecular Formula: | C14 H15 Cl N4 O3 |
| Smiles: | CCOC(c1cn(CC(Nc2cccc(c2C)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3151 |
| logD: | 2.3149 |
| logSw: | -3.0677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.957 |
| InChI Key: | TVCURANEQJNIPI-UHFFFAOYSA-N |