3-(5-chloro-2-methoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(5-chloro-2-methoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2158 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 538.04 |
| Molecular Formula: | C22 H17 Cl F N3 O4 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccc(cc2)F)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.019 |
| logD: | 4.019 |
| logSw: | -4.4847 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.822 |
| InChI Key: | JMVJIGOEVYHUCD-UHFFFAOYSA-N |