N-(2,3-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2,3-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
N-(2,3-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V010-0285 |
| Compound Name: | N-(2,3-dichlorophenyl)-N'-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}urea |
| Molecular Weight: | 583.32 |
| Molecular Formula: | C24 H19 Cl4 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(CNC(Nc3cccc(c3[Cl])[Cl])=O)n2c2cc(ccc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.473 |
| logD: | 6.4721 |
| logSw: | -6.4491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.13 |
| InChI Key: | FKQAGZVGJFILFR-UHFFFAOYSA-N |