3-(4-ethoxyphenyl)-6-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-6-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-6-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3974 |
| Compound Name: | 3-(4-ethoxyphenyl)-6-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 531.72 |
| Molecular Formula: | C28 H25 N3 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2ccccc2C)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 7.1022 |
| logD: | 7.1022 |
| logSw: | -5.6653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.078 |
| InChI Key: | MZHNVEBTMXMCMU-UHFFFAOYSA-N |