methyl 3-[({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
methyl 3-[({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | T003-0091 |
| Compound Name: | methyl 3-[({4-[1-(2-chloropropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C23 H27 Cl N4 O4 |
| Smiles: | CC(C(N1CCC(CC1)c1c(cnc(C)n1)C(NCc1cccc(c1)C(=O)OC)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8924 |
| logD: | 2.8919 |
| logSw: | -3.2562 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.95 |
| InChI Key: | FDSHNXGWBMZKKU-AWEZNQCLSA-N |