2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D027-0056 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCc1nnc(NC(C(Cc2ccccc2)N2C(C3C4CC(C=C4)C3C2=O)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9519 |
| logD: | 2.5834 |
| logSw: | -3.3606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.393 |
| InChI Key: | DMRYLTWVEWOYQR-UHFFFAOYSA-N |