2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-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-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-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: | V007-3787 |
Compound Name: | 2-[3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
Molecular Weight: | 550.7 |
Molecular Formula: | C30 H35 F N4 O3 S |
Smiles: | Cc1ccccc1n1c2c(C(c3ccccc3F)SCC(N2CC(NCC2CCCO2)=O)=O)c(C(C)(C)C)n1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.0648 |
logD: | 5.0648 |
logSw: | -4.56 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.121 |
InChI Key: | XWUUCUXEZYLECC-UHFFFAOYSA-N |