2-(3-methoxyphenyl)-N-{4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}acetamide
Chemical Structure Depiction of
2-(3-methoxyphenyl)-N-{4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}acetamide
2-(3-methoxyphenyl)-N-{4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}acetamide
Compound characteristics
| Compound ID: | V018-0464 |
| Compound Name: | 2-(3-methoxyphenyl)-N-{4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}acetamide |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C26 H26 N2 O5 |
| Smiles: | COc1cccc(CC(Nc2ccc3c(CN(Cc4cccc(c4)OC)C(CO3)=O)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1666 |
| logD: | 3.1666 |
| logSw: | -3.3576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.542 |
| InChI Key: | QYMNZMKLHSMRCP-UHFFFAOYSA-N |