2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-hydroxyethyl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-hydroxyethyl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-hydroxyethyl)acetamide
Compound characteristics
| Compound ID: | D419-0016 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-hydroxyethyl)acetamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | C(CO)N(CCO)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8686 |
| logD: | 1.8686 |
| logSw: | -1.996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.207 |
| InChI Key: | BTLOTCTULPPQDZ-UHFFFAOYSA-N |