N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-methylbenzamide
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | T002-1527 |
| Compound Name: | N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-methylbenzamide |
| Molecular Weight: | 270.33 |
| Molecular Formula: | C16 H18 N2 O2 |
| Smiles: | CC#CC(N1CCC(C1)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1487 |
| logD: | 2.1487 |
| logSw: | -2.5319 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.877 |
| InChI Key: | OEQRYMWCSIQATE-CQSZACIVSA-N |