6-(3,4-dimethoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(3,4-dimethoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0306 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C23 H21 N3 O5 S3 |
| Smiles: | COc1ccc(cc1OC)N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC1OCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.0647 |
| logD: | 3.0647 |
| logSw: | -3.3192 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 59.754 |
| InChI Key: | MNRSUOWDXMYYAR-UHFFFAOYSA-N |