N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
Chemical Structure Depiction of
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
Compound characteristics
| Compound ID: | T002-1361 |
| Compound Name: | N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C16 H17 Cl N2 O3 |
| Smiles: | CC#CC(N1CCC(C1)NC(c1ccc(cc1OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9711 |
| logD: | 2.9711 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.507 |
| InChI Key: | HNODWBGQSPOLRO-LBPRGKRZSA-N |