ethyl 4-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-3-oxobutanoate
ethyl 4-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-4223 |
| Compound Name: | ethyl 4-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-3-oxobutanoate |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C22 H18 F N3 O5 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2Cc1ccco1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4641 |
| logD: | 3.4641 |
| logSw: | -3.6142 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 68.5 |
| InChI Key: | CRKXMPLICRKVSE-UHFFFAOYSA-N |