2-({[3-(3,4-dimethylphenyl)-6-(2-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-(3,4-dimethylphenyl)-6-(2-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-(3,4-dimethylphenyl)-6-(2-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: | K286-3915 |
| Compound Name: | 2-({[3-(3,4-dimethylphenyl)-6-(2-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: | 574.67 |
| Molecular Formula: | C28 H19 F N4 O3 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCN2C(c3ccccc3C2=O)=O)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.9838 |
| logD: | 5.9838 |
| logSw: | -5.5003 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.306 |
| InChI Key: | VYAULARFTMKWEW-UHFFFAOYSA-N |