N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V008-5889 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 582.43 |
| Molecular Formula: | C25 H20 Cl2 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(CNC(Nc3ccc(cc3)C(F)(F)F)=O)n2c2cc(ccc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3481 |
| logD: | 6.3481 |
| logSw: | -6.3308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.828 |
| InChI Key: | ZUPWPSFLGKQBJM-UHFFFAOYSA-N |