3-(2,6-dimethylphenyl)-6-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,6-dimethylphenyl)-6-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,6-dimethylphenyl)-6-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018690 |
| Compound Name: | 3-(2,6-dimethylphenyl)-6-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 516.71 |
| Molecular Formula: | C27 H24 N4 O S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(CCc3ccccc3)C(=N2)SCc2ccncc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2367 |
| logD: | 5.2296 |
| logSw: | -4.9303 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.371 |
| InChI Key: | JMWBHBKEMIRPCF-UHFFFAOYSA-N |