2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 7790-2744 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethan-1-one |
| Molecular Weight: | 361.8 |
| Molecular Formula: | C16 H12 Cl N3 O3 S |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)Sc1nnc(c2ccccc2[Cl])[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.5874 |
| logD: | 1.3777 |
| logSw: | -3.4707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.817 |
| InChI Key: | WJSDXVCIEJFLPM-UHFFFAOYSA-N |