7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanopyrido[2,1-b][1,3]benzothiazol-10-ium--chloride (1/1)
Chemical Structure Depiction of
7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanopyrido[2,1-b][1,3]benzothiazol-10-ium--chloride (1/1)
7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanopyrido[2,1-b][1,3]benzothiazol-10-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8020-1355 |
| Compound Name: | 7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanopyrido[2,1-b][1,3]benzothiazol-10-ium--chloride (1/1) |
| Molecular Weight: | 369.87 |
| Molecular Formula: | C17 H20 N O4 S |
| Salt: | Cl- |
| Smiles: | CCOC(C1CC2CC1C1C2[n+]2cccc(C(=O)OC)c2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1326 |
| logD: | 3.1326 |
| logSw: | -3.3439 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.589 |
| InChI Key: | XCOYIPURENTESE-UHFFFAOYSA-N |