N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dimethylphenyl)urea
Chemical Structure Depiction of
N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dimethylphenyl)urea
N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dimethylphenyl)urea
Compound characteristics
| Compound ID: | V016-7351 |
| Compound Name: | N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dimethylphenyl)urea |
| Molecular Weight: | 526.49 |
| Molecular Formula: | C26 H25 Cl2 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC(NCc1nnc(n1c1ccc(cc1[Cl])[Cl])SCc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3188 |
| logD: | 7.3188 |
| logSw: | -6.3187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | AIZPENCHKBYQAK-UHFFFAOYSA-N |