methyl 3-({2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-carbonyl}amino)benzoate
methyl 3-({2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | M520-0748 |
| Compound Name: | methyl 3-({2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-carbonyl}amino)benzoate |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | COC(c1cccc(c1)NC(c1csc(c2ccc(nc2)N2CCSCC2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6743 |
| logD: | 4.4027 |
| logSw: | -4.3489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.291 |
| InChI Key: | VWKVXKPDFNGWTE-UHFFFAOYSA-N |