2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclohexylacetamide
Chemical Structure Depiction of
2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclohexylacetamide
2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | K286-0039 |
| Compound Name: | 2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclohexylacetamide |
| Molecular Weight: | 564.79 |
| Molecular Formula: | C29 H32 N4 O2 S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2c1c(C)cccc1C)=S)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3762 |
| logD: | 6.3762 |
| logSw: | -5.3873 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.948 |
| InChI Key: | LXBOWAULJLMHTI-UHFFFAOYSA-N |