2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V005-6002 |
| Compound Name: | 2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 574.69 |
| Molecular Formula: | C32 H32 F2 N4 O2 S |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3cccc(C)c3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7645 |
| logD: | 6.7645 |
| logSw: | -5.6599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.467 |
| InChI Key: | WIUWUVHOJDRDGQ-WJOKGBTCSA-N |