N-[4-(dimethylamino)phenyl]-2-{[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-2-{[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[4-(dimethylamino)phenyl]-2-{[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-1080 |
| Compound Name: | N-[4-(dimethylamino)phenyl]-2-{[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 591.75 |
| Molecular Formula: | C29 H26 F N5 O2 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(Nc2ccc(cc2)N(C)C)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1592 |
| logD: | 6.1507 |
| logSw: | -5.4196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.909 |
| InChI Key: | NENGWUVLBIBKFU-UHFFFAOYSA-N |