3-(3-methoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3-methoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0128 |
| Compound Name: | 3-(3-methoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C19 H20 N4 O3 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCC(N2CCCCC2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.7126 |
| logD: | 2.711 |
| logSw: | -3.2567 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.232 |
| InChI Key: | GXRBKVCUWDOUSZ-UHFFFAOYSA-N |