2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | K286-0038 |
Compound Name: | 2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 626.74 |
Molecular Formula: | C30 H25 F3 N4 O2 S3 |
Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2c1c(C)cccc1C)=S)SCC(Nc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 7.5235 |
logD: | 7.5233 |
logSw: | -5.7126 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.9 |
InChI Key: | GPURFVAZBUPRFX-UHFFFAOYSA-N |