2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D489-0570 |
| Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)c1nnc(n1c1ccccc1)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7543 |
| logD: | 3.7543 |
| logSw: | -3.8883 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.014 |
| InChI Key: | LYAJOAIIGWJSPN-UHFFFAOYSA-N |