2-fluorophenyl {[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-fluorophenyl {[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
2-fluorophenyl {[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-4033 |
| Compound Name: | 2-fluorophenyl {[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 579.69 |
| Molecular Formula: | C28 H22 F N3 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(=O)Oc2ccccc2F)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.9499 |
| logD: | 5.9499 |
| logSw: | -5.5052 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.219 |
| InChI Key: | OLVLAXTZNZBOLQ-UHFFFAOYSA-N |