methyl 3-[({4-[1-(hex-5-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({4-[1-(hex-5-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
methyl 3-[({4-[1-(hex-5-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | T003-0464 |
| Compound Name: | methyl 3-[({4-[1-(hex-5-ynoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C26 H30 N4 O4 |
| Smiles: | Cc1ncc(C(NCc2cccc(c2)C(=O)OC)=O)c(C2CCN(CC2)C(CCCC#C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.793 |
| logD: | 2.7926 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.423 |
| InChI Key: | WHJRYWXVEOGFIK-UHFFFAOYSA-N |