3-(2-oxo-2-phenylethyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
3-(2-oxo-2-phenylethyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
3-(2-oxo-2-phenylethyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2031 |
| Compound Name: | 3-(2-oxo-2-phenylethyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C23 H18 N4 O3 |
| Smiles: | C(C(c1ccccc1)=O)[n+]1c(C(Nc2ccccc2)=O)c(n(c2ccccc2)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.1131 |
| logD: | 3.1131 |
| logSw: | -3.5467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.105 |
| InChI Key: | BAAVXWRILLDADG-UHFFFAOYSA-N |