ethyl 4-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | M779-1296 |
| Compound Name: | ethyl 4-[2-({6-[4-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4437 |
| logD: | 3.4435 |
| logSw: | -3.6499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.268 |
| InChI Key: | ZJFVYZVUGMWIHB-UHFFFAOYSA-N |