2-cyano-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-cyano-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide
2-cyano-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-6171 |
| Compound Name: | 2-cyano-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide |
| Molecular Weight: | 515.51 |
| Molecular Formula: | C25 H20 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NS(c1ccccc1C#N)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0442 |
| logD: | 4.0028 |
| logSw: | -4.2129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.287 |
| InChI Key: | PVYHAJPDZMYDJP-MRXNPFEDSA-N |