5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0887 |
| Compound Name: | 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C23 H21 N3 O4 S3 |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC1OCCO1 |
| Stereo: | ACHIRAL |
| logP: | 4.1206 |
| logD: | 4.1206 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.736 |
| InChI Key: | XXDUZMSVQBBMAI-UHFFFAOYSA-N |