N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V023-1237 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C25 H32 N2 O5 |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(CC(C)(C)C)=O)Cc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2721 |
| logD: | 4.2721 |
| logSw: | -4.5006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.078 |
| InChI Key: | RBNDENHSCRALOP-INIZCTEOSA-N |