3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3954 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 535.68 |
| Molecular Formula: | C27 H22 F N3 O2 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCc2ccccc2C)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.6829 |
| logD: | 6.6829 |
| logSw: | -5.7135 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 33.563 |
| InChI Key: | CMLAISQOBOXVJG-UHFFFAOYSA-N |