6-(2,6-dimethylphenyl)-5-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2,6-dimethylphenyl)-5-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2,6-dimethylphenyl)-5-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0059 |
| Compound Name: | 6-(2,6-dimethylphenyl)-5-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 591.75 |
| Molecular Formula: | C30 H26 F N3 O3 S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1cc(cc2COCOc12)F |
| Stereo: | ACHIRAL |
| logP: | 7.0654 |
| logD: | 7.0654 |
| logSw: | -5.6613 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.832 |
| InChI Key: | ZWZFCTNMPCMJQA-UHFFFAOYSA-N |