N-cyclohexyl-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}acetamide
Chemical Structure Depiction of
N-cyclohexyl-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}acetamide
N-cyclohexyl-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}acetamide
Compound characteristics
| Compound ID: | K286-3648 |
| Compound Name: | N-cyclohexyl-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}acetamide |
| Molecular Weight: | 564.79 |
| Molecular Formula: | C29 H32 N4 O2 S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1646 |
| logD: | 6.1646 |
| logSw: | -5.3114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.139 |
| InChI Key: | KLZINNMIEVZMBB-UHFFFAOYSA-N |