2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)-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-[4-(2H-1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)-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: | V020-3094 |
Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)-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: | 584.69 |
Molecular Formula: | C32 H32 N4 O5 S |
Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5337 |
logD: | 5.5337 |
logSw: | -5.4286 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.766 |
InChI Key: | HZCXFVMTEFBPEA-WJOKGBTCSA-N |