N-(3-chloro-4-methylphenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
N-(3-chloro-4-methylphenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V014-8205 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea |
| Molecular Weight: | 546.9 |
| Molecular Formula: | C25 H22 Cl3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(CNC(Nc3ccc(C)c(c3)[Cl])=O)n2c2cc(ccc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4567 |
| logD: | 7.4567 |
| logSw: | -6.421 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | RHMATZXDCRDNKZ-UHFFFAOYSA-N |