N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluoro-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluoro-4-methylbenzene-1-sulfonamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluoro-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-5136 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluoro-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 514.57 |
| Molecular Formula: | C26 H27 F N2 O6 S |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NS(c1ccc(C)c(c1)F)(=O)=O)Cc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5122 |
| logD: | 4.4708 |
| logSw: | -4.4661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.578 |
| InChI Key: | QWYAWMDGSMILEQ-QGZVFWFLSA-N |