5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0655 |
| Compound Name: | 5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 430.85 |
| Molecular Formula: | C19 H19 Cl N6 O4 |
| Smiles: | COc1ccc(c(c1)OC)NC(c1c(N)n(CC(Nc2ccc(cc2)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2269 |
| logD: | 2.2266 |
| logSw: | -3.2708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.913 |
| InChI Key: | RCKQIZZSMNZDEZ-UHFFFAOYSA-N |