3-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6819 |
| Compound Name: | 3-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 373.9 |
| Molecular Formula: | C19 H20 Cl N3 O S |
| Smiles: | Cc1cccc(CSc2nnc(COc3ccc(c(C)c3)[Cl])n2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1611 |
| logD: | 5.1611 |
| logSw: | -5.6556 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.526 |
| InChI Key: | PBVRNPVZNOYHQH-UHFFFAOYSA-N |