2-{[3-(2-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[3-(2-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K286-3681 |
| Compound Name: | 2-{[3-(2-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 568.74 |
| Molecular Formula: | C27 H28 N4 O4 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(NCC2CCCO2)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7951 |
| logD: | 3.7951 |
| logSw: | -3.911 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.689 |
| InChI Key: | VTOJDCOYUIJGMG-GOSISDBHSA-N |