2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | V015-7394 |
Compound Name: | 2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
Molecular Weight: | 591.1 |
Molecular Formula: | C31 H28 Cl F N4 O3 S |
Smiles: | C1CC(CNC(CN2C(CSC(c3ccc(cc3)F)c3c(c4ccccc4)nn(c4ccccc4[Cl])c23)=O)=O)OC1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.0521 |
logD: | 5.0521 |
logSw: | -5.3038 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.85 |
InChI Key: | BFTKCXHHMXENSA-UHFFFAOYSA-N |