2-{[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-7694 |
| Compound Name: | 2-{[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H18 Cl2 N4 O2 S |
| Smiles: | C1COCCN1C(CSc1nnc(c2ccc(cc2[Cl])[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7222 |
| logD: | 3.7222 |
| logSw: | -4.2501 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.014 |
| InChI Key: | SSFHSPCGFJQZQL-UHFFFAOYSA-N |