ethyl {[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | A0018660 |
| Compound Name: | ethyl {[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 511.68 |
| Molecular Formula: | C25 H25 N3 O3 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1CCc1ccccc1)=O)SC(N2c1c(C)cccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4799 |
| logD: | 5.4799 |
| logSw: | -5.2929 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.373 |
| InChI Key: | INHJLKSCJHBVEA-UHFFFAOYSA-N |