3-fluoro-N-{4-[2-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
3-fluoro-N-{4-[2-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide
3-fluoro-N-{4-[2-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V020-8494 |
| Compound Name: | 3-fluoro-N-{4-[2-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C25 H24 F2 N2 O4 S |
| Smiles: | CC1C(N(CCc2ccc(cc2)F)Cc2cc(ccc2O1)NS(c1ccc(C)c(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6654 |
| logD: | 4.624 |
| logSw: | -4.4479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.209 |
| InChI Key: | RRXDXDSENKCLSC-QGZVFWFLSA-N |