N,N-bis(2-hydroxyethyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-bis(2-hydroxyethyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N,N-bis(2-hydroxyethyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0148 |
| Compound Name: | N,N-bis(2-hydroxyethyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N(CCO)CCO)=O |
| Stereo: | ACHIRAL |
| logP: | 2.397 |
| logD: | 2.397 |
| logSw: | -2.462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.207 |
| InChI Key: | VRHNIXXIHCQJRJ-UHFFFAOYSA-N |