N-[rel-(1R,4R,6S)-2-(4-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
Chemical Structure Depiction of
N-[rel-(1R,4R,6S)-2-(4-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
N-[rel-(1R,4R,6S)-2-(4-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
Compound characteristics
| Compound ID: | S032-0951 |
| Compound Name: | N-[rel-(1R,4R,6S)-2-(4-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | COc1cc(ccc1C(N1C[C@@H]2C[C@@H]([C@H]1C2)NC(c1ccccc1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7377 |
| logD: | 3.7377 |
| logSw: | -4.3241 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.729 |
| InChI Key: | ZQJJMXKTTJLTLC-VHSSKADRSA-N |