N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)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-(propan-2-yl)phenyl]urea
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V008-5866 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 556.51 |
| Molecular Formula: | C27 H27 Cl2 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC(NCc1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8135 |
| logD: | 6.8135 |
| logSw: | -6.5483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.828 |
| InChI Key: | VAZBEMPSSXCDMH-UHFFFAOYSA-N |