2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
Compound ID: | V019-7232 |
Compound Name: | 2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
Molecular Weight: | 558.68 |
Molecular Formula: | C31 H31 F N4 O3 S |
Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccc(cc3)F)SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6141 |
logD: | 5.6141 |
logSw: | -5.4009 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.651 |
InChI Key: | KPCOVKNKNQJWCJ-SSEXGKCCSA-N |