{4-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
{4-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M400-0316 |
| Compound Name: | {4-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C23 H28 N2 O4 |
| Smiles: | COc1ccc(CN2CCOc3ccc(cc3C2)C(N2CCCC2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1324 |
| logD: | 3.0672 |
| logSw: | -3.1384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.104 |
| InChI Key: | XBUVPUXVAWLXRJ-UHFFFAOYSA-N |