N,N-dimethyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N,N-dimethyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1045 |
| Compound Name: | N,N-dimethyl-3-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | CC(C)CC(N1CCOc2ccc(CCC(N(C)C)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.283 |
| logD: | 2.283 |
| logSw: | -2.7871 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.048 |
| InChI Key: | ANUHTFBBOQWFES-UHFFFAOYSA-N |