3-[4-(cyclohexanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-[4-(cyclohexanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
3-[4-(cyclohexanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1027 |
| Compound Name: | 3-[4-(cyclohexanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(C2CCCCC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.87 |
| logD: | 2.87 |
| logSw: | -2.968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.496 |
| InChI Key: | OIQHSRUZKXNCML-UHFFFAOYSA-N |