3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8900 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 420.36 |
| Molecular Formula: | C20 H19 Cl2 N3 O S |
| Smiles: | CC(c1nnc(n1CC=C)SCc1ccc(c(c1)[Cl])[Cl])Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0641 |
| logD: | 6.0641 |
| logSw: | -6.1683 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.0082 |
| InChI Key: | IWGLPUOXYUHIEZ-AWEZNQCLSA-N |