N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea
Chemical Structure Depiction of
N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea
N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea
Compound characteristics
| Compound ID: | V016-9726 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(2,6-dimethylphenyl)urea |
| Molecular Weight: | 530.45 |
| Molecular Formula: | C25 H22 Cl2 F N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(C)c1NC(NCc1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3243 |
| logD: | 5.3243 |
| logSw: | -5.9126 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.889 |
| InChI Key: | XKQQSNCFCBJFSA-UHFFFAOYSA-N |