N-(4-chlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(4-chlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
N-(4-chlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V016-9655 |
| Compound Name: | N-(4-chlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea |
| Molecular Weight: | 536.84 |
| Molecular Formula: | C23 H17 Cl3 F N5 O S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccc(cc1)F)NC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7662 |
| logD: | 5.7662 |
| logSw: | -6.0615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | FHCSEBSOHBGXNE-UHFFFAOYSA-N |