3-ethyl-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
3-ethyl-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
3-ethyl-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2024 |
| Compound Name: | 3-ethyl-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 308.34 |
| Molecular Formula: | C17 H16 N4 O2 |
| Smiles: | CC[n+]1c(C(Nc2ccccc2)=O)c(n(c2ccccc2)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.5217 |
| logD: | 2.5217 |
| logSw: | -2.7857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.854 |
| InChI Key: | VKUIOVYFKMTLPE-UHFFFAOYSA-N |