N-(3,4-dichlorophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
N-(3,4-dichlorophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | V015-1498 |
| Compound Name: | N-(3,4-dichlorophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea |
| Molecular Weight: | 526.49 |
| Molecular Formula: | C26 H25 Cl2 N5 O S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(C)cc1)SCc1ccccc1C)NC(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4919 |
| logD: | 7.4917 |
| logSw: | -6.3913 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.772 |
| InChI Key: | IBDIEJRQXDSQLA-SFHVURJKSA-N |