2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S333-0437 |
| Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C25 H23 N5 O4 |
| Smiles: | C1CN(CCN1C(Cn1cccc1c1nc(c2ccc3c(c2)OCO3)no1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.178 |
| logD: | 4.1779 |
| logSw: | -4.3981 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.002 |
| InChI Key: | MUOONGIVLXFFKF-UHFFFAOYSA-N |