benzyl {[3-(3,4-dimethylphenyl)-6-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-3675 |
| Compound Name: | benzyl {[3-(3,4-dimethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 559.73 |
| Molecular Formula: | C29 H25 N3 O3 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(C)c(C)c1)=S)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9441 |
| logD: | 6.9441 |
| logSw: | -5.5534 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.489 |
| InChI Key: | WHQUPOMZTIYVNN-UHFFFAOYSA-N |