N-(2,5-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2,5-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-4151 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 606.74 |
| Molecular Formula: | C29 H26 N4 O5 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(Nc2cc(ccc2OC)OC)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8385 |
| logD: | 4.8382 |
| logSw: | -4.5221 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.704 |
| InChI Key: | QBSZOVJSEISUIB-UHFFFAOYSA-N |