2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
Compound ID: | V020-7815 |
Compound Name: | 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
Molecular Weight: | 540.68 |
Molecular Formula: | C29 H34 F2 N4 O2 S |
Smiles: | CC(C)CNC(CN1C(CSC(c2ccc(cc2F)F)c2c(C(C)(C)C)nn(c3ccc(C)cc3)c12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2855 |
logD: | 6.2855 |
logSw: | -5.3696 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.039 |
InChI Key: | WIBSJPKSFHVGDX-AREMUKBSSA-N |