2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
Compound ID: | K286-4276 |
Compound Name: | 2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
Molecular Weight: | 532.64 |
Molecular Formula: | C22 H21 F N6 O3 S3 |
Smiles: | Cc1cc(NC(CSC2=NC3=C(C(N2c2ccc(cc2)F)=O)SC(N3CC2CCCO2)=S)=O)n[nH]1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8275 |
logD: | 2.826 |
logSw: | -3.2401 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.505 |
InChI Key: | JBUHJYJVERRWSZ-OAHLLOKOSA-N |