2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | D217-0301 |
Compound Name: | 2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 296.71 |
Molecular Formula: | C12 H13 Cl N4 O3 |
Smiles: | C(CO)NC(c1c(CO)nn(c2ccc(cc2)[Cl])n1)=O |
Stereo: | ACHIRAL |
logP: | 0.0325 |
logD: | 0.0325 |
logSw: | -2.0806 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 84.904 |
InChI Key: | KPWIHRDPOLXURP-UHFFFAOYSA-N |