3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V015-1187 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C23 H20 Cl N3 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1c1ccc(cc1)OC)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0585 |
| logD: | 6.0584 |
| logSw: | -6.3017 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | SDPYSNGUURFKIM-UHFFFAOYSA-N |