3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one
3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | 8007-3672 |
| Compound Name: | 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C20 H22 N4 O6 |
| Smiles: | CN1CCN(CC1)C(CCc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0197 |
| logD: | 2.7728 |
| logSw: | -3.4903 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.347 |
| InChI Key: | ANCLARLPQXUSMF-UHFFFAOYSA-N |