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-(5-methyl-1,2-oxazol-3-yl)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-(5-methyl-1,2-oxazol-3-yl)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-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K286-3735 |
| 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-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 535.66 |
| Molecular Formula: | C25 H21 N5 O3 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC(Nc2cc(C)on2)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3037 |
| logD: | 5.2945 |
| logSw: | -5.2805 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.598 |
| InChI Key: | TUGBMXUJUMQSPO-UHFFFAOYSA-N |