2-methoxy-4-[5-(morpholin-4-yl)penta-1,3-diyn-1-yl]phenyl benzoate
Chemical Structure Depiction of
2-methoxy-4-[5-(morpholin-4-yl)penta-1,3-diyn-1-yl]phenyl benzoate
2-methoxy-4-[5-(morpholin-4-yl)penta-1,3-diyn-1-yl]phenyl benzoate
Compound characteristics
| Compound ID: | Y010-0100 |
| Compound Name: | 2-methoxy-4-[5-(morpholin-4-yl)penta-1,3-diyn-1-yl]phenyl benzoate |
| Molecular Weight: | 375.42 |
| Molecular Formula: | C23 H21 N O4 |
| Smiles: | COc1cc(C#CC#CCN2CCOCC2)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0744 |
| logD: | 4.0743 |
| logSw: | -4.2759 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.953 |
| InChI Key: | XBLJONFODWNELP-UHFFFAOYSA-N |