2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K286-4073 |
| Compound Name: | 2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 558.74 |
| Molecular Formula: | C29 H26 N4 O2 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(NCCc2ccccc2)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3746 |
| logD: | 5.3746 |
| logSw: | -5.2889 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.268 |
| InChI Key: | PTHNDNKQWPTOLA-UHFFFAOYSA-N |