N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-methoxyphenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-methoxyphenyl)urea
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V009-1215 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-methoxyphenyl)urea |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNC(Nc2ccc(cc2)OC)=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5253 |
| logD: | 4.5253 |
| logSw: | -4.2736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.129 |
| InChI Key: | YZUWZGUFCAHVKY-UHFFFAOYSA-N |