ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M179-4264 |
| Compound Name: | ethyl 4-(2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1cc(ncn1)N1CCCCC1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4351 |
| logD: | 4.4348 |
| logSw: | -4.1717 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.242 |
| InChI Key: | ROBJMHGWMQAZMC-HNNXBMFYSA-N |