5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2047 |
| Compound Name: | 5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 414.85 |
| Molecular Formula: | C19 H19 Cl N6 O3 |
| Smiles: | CCOc1ccccc1NC(c1c(N)n(CC(Nc2ccc(cc2)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6563 |
| logD: | 2.6562 |
| logSw: | -3.4392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.949 |
| InChI Key: | AGKQPARWVNMNFO-UHFFFAOYSA-N |