N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea
Compound characteristics
| Compound ID: | V010-0756 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)NC(NCc1nnc(n1c1ccc(C)cc1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4736 |
| logD: | 5.4736 |
| logSw: | -5.3563 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.585 |
| InChI Key: | UQRMTLHBCARBEI-UHFFFAOYSA-N |