3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1035 |
| Compound Name: | 3-[4-(2,6-dimethoxypyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C22 H27 N3 O5 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(c2ccc(nc2OC)OC)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5189 |
| logD: | 2.5189 |
| logSw: | -2.8459 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.665 |
| InChI Key: | MNQOEBLBFXRDLV-UHFFFAOYSA-N |