2-({[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K286-3914 |
| Compound Name: | 2-({[3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 590.67 |
| Molecular Formula: | C28 H19 F N4 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCN2C(c3ccccc3C2=O)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1987 |
| logD: | 5.1987 |
| logSw: | -4.9615 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 61.731 |
| InChI Key: | UVJVLQDTIQASAH-UHFFFAOYSA-N |