2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | V015-2796 |
Compound Name: | 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
Molecular Weight: | 570.62 |
Molecular Formula: | C31 H24 F2 N4 O3 S |
Smiles: | C(c1ccco1)NC(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3ccccc3)c12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.0087 |
logD: | 6.0087 |
logSw: | -5.9275 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.245 |
InChI Key: | IJGZZFKXHPAUTM-SSEXGKCCSA-N |