methyl 3-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 3-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
methyl 3-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M179-4148 |
| Compound Name: | methyl 3-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)c1cc(ncn1)SCC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8098 |
| logD: | 4.8098 |
| logSw: | -4.6214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.244 |
| InChI Key: | ULPJJJUTNXSYOE-UHFFFAOYSA-N |