3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0477 |
| Compound Name: | 3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 411.56 |
| Molecular Formula: | C20 H17 N3 O S3 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(NC(=N2)SCc2cccc(C)c2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.958 |
| logD: | 4.957 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.296 |
| InChI Key: | FHENKTSUWHKIAD-UHFFFAOYSA-N |