2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one
2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8019-8941 |
| Compound Name: | 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one |
| Molecular Weight: | 486.38 |
| Molecular Formula: | C23 H17 Cl2 N3 O3 S |
| Smiles: | C(c1ccccc1)n1c(c2ccc(cc2[Cl])[Cl])nnc1SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4035 |
| logD: | 5.2212 |
| logSw: | -5.6112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.312 |
| InChI Key: | CLFXGRSHWNSVSI-UHFFFAOYSA-N |