2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | K286-3738 |
| Compound Name: | 2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-ethylphenyl)acetamide |
| Molecular Weight: | 558.74 |
| Molecular Formula: | C29 H26 N4 O2 S3 |
| Smiles: | CCc1ccccc1NC(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(C)cc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.429 |
| logD: | 6.429 |
| logSw: | -5.5773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.105 |
| InChI Key: | HUCBSXUXPWGSMZ-UHFFFAOYSA-N |