methyl 4-{[1-(but-2-ynoyl)piperidin-3-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(but-2-ynoyl)piperidin-3-yl]carbamoyl}benzoate
methyl 4-{[1-(but-2-ynoyl)piperidin-3-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | T002-2393 |
| Compound Name: | methyl 4-{[1-(but-2-ynoyl)piperidin-3-yl]carbamoyl}benzoate |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C18 H20 N2 O4 |
| Smiles: | CC#CC(N1CCCC(C1)NC(c1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0042 |
| logD: | 2.0042 |
| logSw: | -2.2544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.685 |
| InChI Key: | IHGQDGSWYHTPCE-HNNXBMFYSA-N |