2-{[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
2-{[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | K286-0052 |
| Compound Name: | 2-{[6-(2,6-dimethylphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 538.75 |
| Molecular Formula: | C27 H30 N4 O2 S3 |
| Smiles: | CCN(CC)C(CSC1=NC2=C(C(N1c1c(C)cccc1C)=O)SC(N2CCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4121 |
| logD: | 5.4121 |
| logSw: | -5.278 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.619 |
| InChI Key: | VCKZFDGRFDRKOP-UHFFFAOYSA-N |