ethyl 4-{[3-(4-ethylphenyl)-7-oxo-6-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-{[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-1915 |
| Compound Name: | ethyl 4-{[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C25 H23 N3 O4 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(CC(=O)OCC)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5151 |
| logD: | 4.515 |
| logSw: | -4.2759 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 60.14 |
| InChI Key: | VHTXVDAFGFPMJU-UHFFFAOYSA-N |