N-[rel-(1R,4R,6S)-2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,4R,6S)-2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
N-[rel-(1R,4R,6S)-2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | S032-2066 |
| Compound Name: | N-[rel-(1R,4R,6S)-2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Smiles: | C1[C@@H]([C@H]2C[C@@H]1CN2S(c1ccc2c(c1)OCCO2)(=O)=O)NC(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9132 |
| logD: | 1.9132 |
| logSw: | -2.7799 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.78 |
| InChI Key: | RUJBZABXNQNUHM-CFVMTHIKSA-N |