N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chloropyridine-3-carboxamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chloropyridine-3-carboxamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chloropyridine-3-carboxamide
Compound characteristics
| Compound ID: | V028-8043 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-chloropyridine-3-carboxamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C25 H22 Cl N3 O5 |
| Salt: | not_available |
| Smiles: | CCC1C(N(Cc2ccc3c(c2)OCO3)Cc2cc(ccc2O1)NC(c1cccnc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8177 |
| logD: | 3.8144 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.667 |
| InChI Key: | IGKANLZUKOOURK-LJQANCHMSA-N |