N-[rel-(1R,4R,5R)-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,4R,5R)-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
N-[rel-(1R,4R,5R)-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | S034-1911 |
| Compound Name: | N-[rel-(1R,4R,5R)-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | C1CCc2c(C1)cc(C(N1C[C@@H]3C[C@H]1C[C@@H]3NC(c1cccs1)=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8206 |
| logD: | 3.8206 |
| logSw: | -3.9206 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.232 |
| InChI Key: | OAVZNQLAHVUNEB-KKUMJFAQSA-N |