methyl 3-[2-({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
Chemical Structure Depiction of
methyl 3-[2-({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
methyl 3-[2-({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
Compound characteristics
| Compound ID: | T003-0115 |
| Compound Name: | methyl 3-[2-({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C24 H29 Cl N4 O4 |
| Smiles: | CC(C(N1CCC(CC1)c1c(cnc(C)n1)C(NCCc1cccc(c1)C(=O)OC)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7281 |
| logD: | 2.7281 |
| logSw: | -3.2642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.792 |
| InChI Key: | GVUPYNDAZNNWFH-HNNXBMFYSA-N |