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-[2-(4-sulfamoylphenyl)ethyl]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-[2-(4-sulfamoylphenyl)ethyl]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-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
Compound ID: | K286-4273 |
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-[2-(4-sulfamoylphenyl)ethyl]acetamide |
Molecular Weight: | 635.78 |
Molecular Formula: | C26 H26 F N5 O5 S4 |
Smiles: | C1CC(CN2C3=C(C(N(C(=N3)SCC(NCCc3ccc(cc3)S(N)(=O)=O)=O)c3ccc(cc3)F)=O)SC2=S)OC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.6717 |
logD: | 1.671 |
logSw: | -2.3853 |
Hydrogen bond acceptors count: | 15 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 111.136 |
InChI Key: | JNXOTICDSDUWLH-LJQANCHMSA-N |