4-{[5-benzyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylmorpholin-4-yl)butan-1-one
Chemical Structure Depiction of
4-{[5-benzyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylmorpholin-4-yl)butan-1-one
4-{[5-benzyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylmorpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | P772-0054 |
| Compound Name: | 4-{[5-benzyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylmorpholin-4-yl)butan-1-one |
| Molecular Weight: | 519.49 |
| Molecular Formula: | C25 H28 Cl2 N4 O2 S |
| Smiles: | CC1CN(CC(C)O1)C(CCCSc1nnc(Cc2ccccc2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6534 |
| logD: | 4.6534 |
| logSw: | -4.8071 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.014 |
| InChI Key: | KGMOSMWCBXDFOE-UHFFFAOYSA-N |