4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-4981 |
| Compound Name: | 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2C2CCCCC2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7102 |
| logD: | 5.7102 |
| logSw: | -5.4153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.177 |
| InChI Key: | MNKJOJWVQPEATE-UHFFFAOYSA-N |