methyl 2-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | M779-1291 |
| Compound Name: | methyl 2-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5668 |
| logD: | 2.5512 |
| logSw: | -3.2049 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.99 |
| InChI Key: | IJOCDRXOPXZBKJ-UHFFFAOYSA-N |