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 |