3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | D027-0009 |
| Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 386.35 |
| Molecular Formula: | C15 H13 F3 N4 O3 S |
| Smiles: | C(CN1C(C2C3CC(C=C3)C2C1=O)=O)C(Nc1nnc(C(F)(F)F)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3999 |
| logD: | -0.8894 |
| logSw: | -2.0742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.009 |
| InChI Key: | FVDWSAFWGLEZGK-UHFFFAOYSA-N |