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-sulfonamide
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-sulfonamide
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-sulfonamide
Compound characteristics
| Compound ID: | S035-1368 |
| 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-sulfonamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C19 H22 N2 O3 S3 |
| Smiles: | C1CCc2c(C1)cc(C(N1C[C@@H]3C[C@H]1C[C@@H]3NS(c1cccs1)(=O)=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5385 |
| logD: | 3.5383 |
| logSw: | -3.6338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.791 |
| InChI Key: | KHUMSCRJQXCMFD-KKUMJFAQSA-N |