N-[rel-(1R,5S)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[rel-(1R,5S)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
N-[rel-(1R,5S)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | T651-0004 |
| Compound Name: | N-[rel-(1R,5S)-8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C22 H23 F N2 O5 S |
| Smiles: | C1C[C@@H]2CC(C[C@H]1N2S(c1ccc2c(c1)OCCO2)(=O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | RELATIVE |
| logP: | 1.5183 |
| logD: | 1.5182 |
| logSw: | -2.6056 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.145 |
| InChI Key: | VHNHLPIXFVYSCQ-AYHJJNSGSA-N |