3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1078 |
| Compound Name: | 3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 506.64 |
| Molecular Formula: | C25 H19 F N4 O S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCc2cccnc2)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3817 |
| logD: | 5.3691 |
| logSw: | -5.072 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.472 |
| InChI Key: | NSKYGXCFDTWORV-UHFFFAOYSA-N |