2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K286-4029 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 602.8 |
| Molecular Formula: | C31 H30 N4 O3 S3 |
| Smiles: | CCN(C(CSC1=NC2=C(C(N1c1ccc(C)cc1)=O)SC(N2c1ccc(cc1)OCC)=S)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6294 |
| logD: | 6.6294 |
| logSw: | -5.551 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 49.17 |
| InChI Key: | VNIXTVISXVJVNF-UHFFFAOYSA-N |