3-[4-(acetyloxy)butyl]-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
3-[4-(acetyloxy)butyl]-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
3-[4-(acetyloxy)butyl]-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2023 |
| Compound Name: | 3-[4-(acetyloxy)butyl]-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | CC(=O)OCCCC[n+]1c(C(Nc2ccccc2)=O)c(n(c2ccccc2)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.6595 |
| logD: | 2.6595 |
| logSw: | -3.0122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.257 |
| InChI Key: | IHUJRSYYICBIMS-UHFFFAOYSA-N |