methyl 3-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}amino)benzoate
methyl 3-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | P578-1887 |
| Compound Name: | methyl 3-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}amino)benzoate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C20 H20 N6 O3 S |
| Smiles: | COC(c1cccc(c1)NC(c1cn(cn1)c1cc(ncn1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.749 |
| logD: | 3.7432 |
| logSw: | -3.8578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.931 |
| InChI Key: | XIRKXNYQBFFAJO-UHFFFAOYSA-N |