N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | S035-1292 |
| Compound Name: | N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | C1[C@H]2CN(C(c3ccc4c(c3)OCO4)=O)[C@@H]1C[C@@H]2NS(c1cccs1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.2314 |
| logD: | 2.2313 |
| logSw: | -2.9232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.967 |
| InChI Key: | KEBZGCKTPUIROB-IHRRRGAJSA-N |