3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-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-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | C082-0077 |
| Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CCN1C(C3C4CC(C=C4)C3C1=O)=O)=O)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6981 |
| logD: | 2.698 |
| logSw: | -3.2111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.349 |
| InChI Key: | TWAFMDVQHSGGHE-UHFFFAOYSA-N |