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}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
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}-N-(4-ethoxyphenyl)acetamide
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}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K286-0315 |
| Compound Name: | 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}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 606.74 |
| Molecular Formula: | C29 H26 N4 O5 S3 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=NC2=C(C(N1c1ccc(c(c1)OC)OC)=O)SC(N2c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8127 |
| logD: | 4.8127 |
| logSw: | -4.5127 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.488 |
| InChI Key: | SADTWQKENXLPJH-UHFFFAOYSA-N |