methyl 3-[({2-methyl-4-[1-(pent-4-ynoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({2-methyl-4-[1-(pent-4-ynoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)methyl]benzoate
methyl 3-[({2-methyl-4-[1-(pent-4-ynoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | T003-0093 |
| Compound Name: | methyl 3-[({2-methyl-4-[1-(pent-4-ynoyl)piperidin-4-yl]pyrimidine-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | Cc1ncc(C(NCc2cccc(c2)C(=O)OC)=O)c(C2CCN(CC2)C(CCC#C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4325 |
| logD: | 2.432 |
| logSw: | -2.7406 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.423 |
| InChI Key: | WYZUAMQRSHJSDC-UHFFFAOYSA-N |