2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-[5-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | D027-0058 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(C(Cc2ccccc2)N2C(C3C4CC(C=C4)C3C2=O)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3395 |
| logD: | 2.9827 |
| logSw: | -3.7016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.898 |
| InChI Key: | YAKIRSNUXXPXIR-UHFFFAOYSA-N |