3-(2,6-dimethylphenyl)-6-phenyl-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-phenyl-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-phenyl-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: | A0018490 |
| Compound Name: | 3-(2,6-dimethylphenyl)-6-phenyl-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C25 H20 N4 O S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(C(=N2)SCc2ccncc2)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5404 |
| logD: | 4.5333 |
| logSw: | -4.2981 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 35.781 |
| InChI Key: | LYTSYFNLVLRXRP-UHFFFAOYSA-N |