ethyl {[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-1912 |
| Compound Name: | ethyl {[3-(4-ethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C23 H21 N3 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(=O)OCC)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.9279 |
| logD: | 4.9279 |
| logSw: | -4.4922 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.385 |
| InChI Key: | KOVWEGFTQYMCNB-UHFFFAOYSA-N |