N-butyl-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
N-butyl-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0304 |
| Compound Name: | N-butyl-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 308.77 |
| Molecular Formula: | C14 H17 Cl N4 O2 |
| Smiles: | CCCCNC(c1c(CO)nn(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0575 |
| logD: | 2.0575 |
| logSw: | -2.7702 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.249 |
| InChI Key: | GTXPNBOFLQQEKJ-UHFFFAOYSA-N |