3-(4-ethylphenyl)-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-ethylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3448 |
| Compound Name: | 3-(4-ethylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 425.59 |
| Molecular Formula: | C21 H19 N3 O S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(NC(=N2)SCc2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6188 |
| logD: | 5.6178 |
| logSw: | -5.3461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.296 |
| InChI Key: | FRCHWVKYDIOLBR-UHFFFAOYSA-N |