2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | D027-0060 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 462.45 |
| Molecular Formula: | C21 H17 F3 N4 O3 S |
| Smiles: | C1C2C=CC1C1C2C(N(C(Cc2ccccc2)C(Nc2nnc(C(F)(F)F)s2)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2762 |
| logD: | 0.5418 |
| logSw: | -3.4667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.898 |
| InChI Key: | RZBWWEZVAILLBS-UHFFFAOYSA-N |