N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-cyanophenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-cyanophenyl)urea
N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-cyanophenyl)urea
Compound characteristics
| Compound ID: | V001-3736 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-cyanophenyl)urea |
| Molecular Weight: | 509.42 |
| Molecular Formula: | C24 H18 Cl2 N6 O S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccccc1)NC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0033 |
| logD: | 5.0033 |
| logSw: | -5.2783 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.341 |
| InChI Key: | GGKBZKWXKMLREM-UHFFFAOYSA-N |