ethyl 4-{[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-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-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-2009 |
| Compound Name: | ethyl 4-{[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 569.72 |
| Molecular Formula: | C27 H27 N3 O5 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(CC(=O)OCC)=O)c2ccc(cc2)OCC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.0056 |
| logD: | 5.0055 |
| logSw: | -4.5211 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 67.264 |
| InChI Key: | BKLSIKVVVQPQEX-UHFFFAOYSA-N |