3-benzyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
3-benzyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate
3-benzyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2022 |
| Compound Name: | 3-benzyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C24 H22 N4 O2 |
| Smiles: | Cc1ccc(cc1)NC(c1c(n(c2ccc(C)cc2)n[n+]1Cc1ccccc1)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8563 |
| logD: | 4.8563 |
| logSw: | -4.4129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.858 |
| InChI Key: | KPDRDFBVGLCGBM-UHFFFAOYSA-N |