4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide
4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | T003-0108 |
| Compound Name: | 4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-(2-phenylethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | CC#CC(N1CCC(CC1)c1c(cnc(C)n1)C(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7775 |
| logD: | 2.7775 |
| logSw: | -3.2419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.09 |
| InChI Key: | MKTXGLSDSFXBNG-UHFFFAOYSA-N |