5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-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-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3437 |
| Compound Name: | 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C17 H17 N3 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(NC(=N2)SCC2OCCO2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.897 |
| logD: | 2.8954 |
| logSw: | -3.3857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.834 |
| InChI Key: | OTCUSWVYWIFVPN-UHFFFAOYSA-N |