3-{[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
3-{[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-6009 |
| Compound Name: | 3-{[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H26 N4 O5 |
| Smiles: | CC(C)=C1C2CCC1C(C2C(O)=O)C(Nc1ccc(c2c1non2)N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7533 |
| logD: | 0.4281 |
| logSw: | -3.1344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.805 |
| InChI Key: | AQSHUXMEBUYNTN-UHFFFAOYSA-N |