methyl 3-[2-({2-methyl-4-[1-(2-methylprop-2-enoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate
Chemical Structure Depiction of
methyl 3-[2-({2-methyl-4-[1-(2-methylprop-2-enoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate
methyl 3-[2-({2-methyl-4-[1-(2-methylprop-2-enoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate
Compound characteristics
| Compound ID: | T003-0114 |
| Compound Name: | methyl 3-[2-({2-methyl-4-[1-(2-methylprop-2-enoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)ethyl]benzoate |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C25 H30 N4 O4 |
| Smiles: | CC(=C)C(N1CCC(CC1)c1c(cnc(C)n1)C(NCCc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8566 |
| logD: | 2.8566 |
| logSw: | -3.2025 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.792 |
| InChI Key: | IARNXDHGIVQUSE-UHFFFAOYSA-N |