N-(3-cyanophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(3-cyanophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
N-(3-cyanophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V015-0976 |
| Compound Name: | N-(3-cyanophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea |
| Molecular Weight: | 539.44 |
| Molecular Formula: | C25 H20 Cl2 N6 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(CNC(Nc3cccc(C#N)c3)=O)n2c2cc(ccc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3363 |
| logD: | 5.3363 |
| logSw: | -5.9758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.884 |
| InChI Key: | DGWRNKFWBJSFOC-UHFFFAOYSA-N |