2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
Compound ID: | V030-7783 |
Compound Name: | 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
Molecular Weight: | 545.08 |
Molecular Formula: | C27 H30 Cl F N4 O3 S |
Salt: | not_available |
Smiles: | CC(C)(C)c1c2C(c3ccccc3[Cl])SCC(N(CC(NCCOC)=O)c2n(c2cccc(c2)F)n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0703 |
logD: | 5.0703 |
logSw: | -5.3442 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.223 |
InChI Key: | QARXSRUHBYFFPZ-XMMPIXPASA-N |