3-(4-ethylphenyl)-6-(2-methylphenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-6-(2-methylphenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethylphenyl)-6-(2-methylphenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2004 |
| Compound Name: | 3-(4-ethylphenyl)-6-(2-methylphenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 522.73 |
| Molecular Formula: | C25 H22 N4 O S4 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2csc(C)n2)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.4593 |
| logD: | 6.4593 |
| logSw: | -5.6655 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.961 |
| InChI Key: | GGSIUQPKJYJKRZ-UHFFFAOYSA-N |