2-(4-ethylphenyl)-N-(1-hydroxybutan-2-yl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(4-ethylphenyl)-N-(1-hydroxybutan-2-yl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
2-(4-ethylphenyl)-N-(1-hydroxybutan-2-yl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0797 |
| Compound Name: | 2-(4-ethylphenyl)-N-(1-hydroxybutan-2-yl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CCC(CO)NC(c1c(CO)nn(c2ccc(CC)cc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4754 |
| logD: | 1.4754 |
| logSw: | -2.0285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.431 |
| InChI Key: | CXOAIGZKMPZZEC-LBPRGKRZSA-N |