3-benzyl-4-(3-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-(3-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-benzyl-4-(3-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-7235 |
| Compound Name: | 3-benzyl-4-(3-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C23 H20 Cl N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3361 |
| logD: | 5.3361 |
| logSw: | -5.8767 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.232 |
| InChI Key: | ZETGVZHUAMUPPD-UHFFFAOYSA-N |