N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chlorobenzamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | V014-5712 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chlorobenzamide |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C25 H21 Cl N2 O5 |
| Smiles: | CC1C(N(Cc2ccc3c(c2)OCO3)Cc2cc(ccc2O1)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2089 |
| logD: | 4.2074 |
| logSw: | -4.3982 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.787 |
| InChI Key: | NFOROPBEOWMPQJ-HNNXBMFYSA-N |