4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide
4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | T003-0107 |
| Compound Name: | 4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C22 H27 Cl N4 O2 |
| Smiles: | CC(C(N1CCC(CC1)c1c(cnc(C)n1)C(NCCc1ccccc1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7991 |
| logD: | 2.7991 |
| logSw: | -3.3081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.618 |
| InChI Key: | RXYDMZMOIIBLSP-HNNXBMFYSA-N |