3-[(4-carboxyphenyl)methyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
3-[(4-carboxyphenyl)methyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
3-[(4-carboxyphenyl)methyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 8011-9259 |
| Compound Name: | 3-[(4-carboxyphenyl)methyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C17 H14 N4 O4 |
| Smiles: | [C-]1/C(=N/C(Nc2ccccc2)=O)ON=[N+]1Cc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7091 |
| logD: | -1.2624 |
| logSw: | -2.1705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.238 |
| InChI Key: | XRKSBYHCIWTBCZ-UHFFFAOYSA-N |