N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzene-1-sulfonamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzene-1-sulfonamide
Compound characteristics
Compound ID: | V003-3402 |
Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-fluorobenzene-1-sulfonamide |
Molecular Weight: | 500.55 |
Molecular Formula: | C25 H25 F N2 O6 S |
Smiles: | CC1C(N(Cc2ccc(cc2OC)OC)Cc2cc(ccc2O1)NS(c1ccc(cc1)F)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.06 |
logD: | 3.9585 |
logSw: | -4.2187 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.405 |
InChI Key: | GWGANQXCJWPDDO-MRXNPFEDSA-N |