3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3917 |
| Compound Name: | 3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 598.14 |
| Molecular Formula: | C28 H21 Cl F N3 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(c(C)c1)[Cl])=S)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8083 |
| logD: | 6.8083 |
| logSw: | -6.448 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.325 |
| InChI Key: | GACVDIPBDYEMDF-UHFFFAOYSA-N |