3-(3-ethoxy-3-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
3-(3-ethoxy-3-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
3-(3-ethoxy-3-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2029 |
| Compound Name: | 3-(3-ethoxy-3-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | CCOC(CC[n+]1c(C(Nc2ccccc2)=O)c(n(c2ccccc2)n1)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5209 |
| logD: | 2.5209 |
| logSw: | -2.6981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.267 |
| InChI Key: | OYEIKACJDFVSFI-UHFFFAOYSA-N |