N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-chlorophenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-chlorophenyl)urea
N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-chlorophenyl)urea
Compound characteristics
| Compound ID: | V014-8243 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-chlorophenyl)urea |
| Molecular Weight: | 518.85 |
| Molecular Formula: | C23 H18 Cl3 N5 O S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccccc1)NC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7371 |
| logD: | 5.7371 |
| logSw: | -5.9862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | OHSMQJFJGUQKKD-UHFFFAOYSA-N |