N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide
Compound characteristics
| Compound ID: | S555-1293 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C21 H26 N2 O5 |
| Smiles: | COCC(Nc1ccc2c(CN(CCO2)Cc2cccc(c2OC)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.515 |
| logD: | 0.2624 |
| logSw: | -3.0474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.836 |
| InChI Key: | QJQYJPIWHIOUFZ-UHFFFAOYSA-N |