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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K286-2669 |
| 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-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 560.72 |
| Molecular Formula: | C28 H24 N4 O3 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC(Nc2cccc(c2)OC)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.9958 |
| logD: | 5.9958 |
| logSw: | -5.4343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.347 |
| InChI Key: | UNQHJCZRGQOLTP-UHFFFAOYSA-N |