N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dichlorophenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dichlorophenyl)urea
N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dichlorophenyl)urea
Compound characteristics
| Compound ID: | V014-8180 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(2,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3,4-dichlorophenyl)urea |
| Molecular Weight: | 553.3 |
| Molecular Formula: | C23 H17 Cl4 N5 O S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccccc1)NC(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6167 |
| logD: | 6.616 |
| logSw: | -6.3708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | NCBGHTLQOXGIMJ-UHFFFAOYSA-N |