4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-3515 |
| Compound Name: | 4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C21 H18 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCc1cccc(c1)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4521 |
| logD: | 5.452 |
| logSw: | -5.9542 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.534 |
| InChI Key: | VBBKGMKBGDWZEW-UHFFFAOYSA-N |