3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(2,5-dimethoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(2,5-dimethoxyphenyl)methyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(2,5-dimethoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0261 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(2,5-dimethoxyphenyl)methyl]propanamide |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C25 H30 N2 O5 |
| Smiles: | COc1ccc(c(CNC(CCc2ccc3c(CN(CCO3)C(C3CC3)=O)c2)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3856 |
| logD: | 3.3856 |
| logSw: | -3.5762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.728 |
| InChI Key: | SQXMIOQWYUGTRW-UHFFFAOYSA-N |