N-(3,4-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
N-(3,4-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V014-8228 |
| Compound Name: | N-(3,4-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea |
| Molecular Weight: | 571.29 |
| Molecular Formula: | C23 H16 Cl4 F N5 O S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccc(cc1)F)NC(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6457 |
| logD: | 6.6451 |
| logSw: | -6.5921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | HPISHVCKQDJXAJ-UHFFFAOYSA-N |