2-{[3-(4-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[3-(4-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K286-3638 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 565.69 |
| Molecular Formula: | C26 H23 N5 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(Nc2cc(C)on2)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.079 |
| logD: | 5.0698 |
| logSw: | -4.8246 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.722 |
| InChI Key: | NRMNUZQTDSMPKA-UHFFFAOYSA-N |