ethyl 4-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-0215 |
| Compound Name: | ethyl 4-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 557.67 |
| Molecular Formula: | C25 H23 N3 O6 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1c1cc(ccc1OC)OC)=O)SC(N2c1ccccc1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.777 |
| logD: | 3.7769 |
| logSw: | -4.0952 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 75.013 |
| InChI Key: | NRPCXUZFXOKZGC-UHFFFAOYSA-N |