N-(4-ethoxyphenyl)-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)acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-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)acetamide
N-(4-ethoxyphenyl)-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)acetamide
Compound characteristics
| Compound ID: | K286-4269 |
| Compound Name: | N-(4-ethoxyphenyl)-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)acetamide |
| Molecular Weight: | 572.7 |
| Molecular Formula: | C26 H25 F N4 O4 S3 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2CC1CCCO1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2241 |
| logD: | 4.2241 |
| logSw: | -4.0547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.493 |
| InChI Key: | IMMMNPPTSVPTPO-HXUWFJFHSA-N |