{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | K286-1695 |
| Compound Name: | {[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid |
| Molecular Weight: | 493.98 |
| Molecular Formula: | C20 H13 Cl F N3 O3 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(N(C(=N2)SCC(O)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4016 |
| logD: | 1.821 |
| logSw: | -4.2557 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.61 |
| InChI Key: | DKKTUKCVWLELRJ-UHFFFAOYSA-N |