N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-fluoro-5-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-fluoro-5-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-fluoro-5-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3780 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-fluoro-5-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 622.76 |
| Molecular Formula: | C30 H27 F N4 O4 S3 |
| Smiles: | Cc1ccc(c(c1)N1C2=C(C(N(C(=N2)SCC(NCCc2ccc(c(c2)OC)OC)=O)c2ccccc2)=O)SC1=S)F |
| Stereo: | ACHIRAL |
| logP: | 4.4279 |
| logD: | 4.4279 |
| logSw: | -4.3387 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.227 |
| InChI Key: | RKUFNAZVTNAIFM-UHFFFAOYSA-N |