3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3885 |
| Compound Name: | 3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 550.65 |
| Molecular Formula: | C26 H19 F N4 O3 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cc(C)ccc1F)=S)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.464 |
| logD: | 6.464 |
| logSw: | -5.6102 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.035 |
| InChI Key: | WNMPDFXRHASLEH-UHFFFAOYSA-N |