N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,3-dimethylphenyl)urea
Chemical Structure Depiction of
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,3-dimethylphenyl)urea
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,3-dimethylphenyl)urea
Compound characteristics
| Compound ID: | V010-0273 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,3-dimethylphenyl)urea |
| Molecular Weight: | 526.49 |
| Molecular Formula: | C26 H25 Cl2 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(CNC(Nc3cccc(C)c3C)=O)n2c2cc(ccc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.698 |
| logD: | 6.698 |
| logSw: | -6.329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.587 |
| InChI Key: | LURYGIOVGIAYMV-UHFFFAOYSA-N |