{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | K286-0316 |
| Compound Name: | {[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C21 H17 N3 O5 S3 |
| Smiles: | COc1ccc(cc1OC)N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5332 |
| logD: | -0.0474 |
| logSw: | -2.6559 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.871 |
| InChI Key: | OWWLVGNHTODCQI-UHFFFAOYSA-N |