3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(ethylsulfanyl)-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-(ethylsulfanyl)-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-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | K978-0413 |
| Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C16 H18 N4 O3 S2 |
| Smiles: | CCSc1nnc(NC(CCN2C(C3C4CC(C=C4)C3C2=O)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8273 |
| logD: | 1.8182 |
| logSw: | -2.5154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.37 |
| InChI Key: | ZEAWLIPVHPJBHM-UHFFFAOYSA-N |