N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-chloro-4-methylphenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-chloro-4-methylphenyl)urea
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-chloro-4-methylphenyl)urea
Compound characteristics
| Compound ID: | V015-2139 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(3-chloro-4-methylphenyl)urea |
| Molecular Weight: | 478.01 |
| Molecular Formula: | C25 H24 Cl N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNC(Nc2ccc(C)c(c2)[Cl])=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9331 |
| logD: | 5.9331 |
| logSw: | -6.0316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.585 |
| InChI Key: | TUSIBTRMQBITCD-UHFFFAOYSA-N |