benzyl {[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
benzyl {[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-3961 |
| Compound Name: | benzyl {[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 575.73 |
| Molecular Formula: | C29 H25 N3 O4 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(=O)OCc2ccccc2)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.3801 |
| logD: | 6.3801 |
| logSw: | -5.4518 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.818 |
| InChI Key: | GZOZCJKXXRSCSF-UHFFFAOYSA-N |