ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M179-4151 |
| Compound Name: | ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1cc(ncn1)N1CC(C)CC(C)C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1398 |
| logD: | 5.1397 |
| logSw: | -5.0061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.824 |
| InChI Key: | BRFACDOAXKNULX-UHFFFAOYSA-N |