2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | F092-0025 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C23 H22 N4 O3 S3 |
| Smiles: | CCc1ccc(cc1)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5855 |
| logD: | 4.5839 |
| logSw: | -4.1932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.569 |
| InChI Key: | PQRNNHHFRCPWND-UHFFFAOYSA-N |