N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,5-dimethoxyphenyl)urea
Chemical Structure Depiction of
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,5-dimethoxyphenyl)urea
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,5-dimethoxyphenyl)urea
Compound characteristics
| Compound ID: | V014-8219 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,5-dimethoxyphenyl)urea |
| Molecular Weight: | 558.49 |
| Molecular Formula: | C26 H25 Cl2 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(CNC(Nc3cc(cc(c3)OC)OC)=O)n2c2cc(ccc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2056 |
| logD: | 6.2056 |
| logSw: | -6.1696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.372 |
| InChI Key: | QHOHOLVVUWRYEL-UHFFFAOYSA-N |