methyl 3-[({4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
methyl 3-[({4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | T003-0092 |
| Compound Name: | methyl 3-[({4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | CC#CC(N1CCC(CC1)c1c(cnc(C)n1)C(NCc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8707 |
| logD: | 2.8703 |
| logSw: | -3.1677 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.423 |
| InChI Key: | NGISFHREEPWLEV-UHFFFAOYSA-N |