N-benzyl-2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-0312 |
| Compound Name: | N-benzyl-2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 576.71 |
| Molecular Formula: | C28 H24 N4 O4 S3 |
| Smiles: | COc1ccc(cc1OC)N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.125 |
| logD: | 4.125 |
| logSw: | -4.3124 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.687 |
| InChI Key: | LFVSEYPOJQSNBD-UHFFFAOYSA-N |