3-(2-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
3-(2-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
3-(2-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2032 |
| Compound Name: | 3-(2-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | CC(C[n+]1c(C(Nc2ccccc2)=O)c(n(c2ccccc2)n1)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7086 |
| logD: | 1.7086 |
| logSw: | -2.2236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.465 |
| InChI Key: | AQQNFSZNQRWOSR-UHFFFAOYSA-N |