rel-(1R,4R,5R)-5-[(benzenesulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
Chemical Structure Depiction of
rel-(1R,4R,5R)-5-[(benzenesulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
rel-(1R,4R,5R)-5-[(benzenesulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
Compound characteristics
| Compound ID: | S035-0724 |
| Compound Name: | rel-(1R,4R,5R)-5-[(benzenesulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C20 H22 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(N1C[C@@H]2C[C@H]1C[C@@H]2NS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3983 |
| logD: | 3.3982 |
| logSw: | -3.7682 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.285 |
| InChI Key: | NBRASEGMOWDDRY-DHSIGJKJSA-N |