2-(3-fluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-(3-fluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
2-(3-fluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 7217-0055 |
| Compound Name: | 2-(3-fluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C21 H20 F N3 O2 |
| Smiles: | CN1CCN(CC1)C1=C(C(c2ccccc2C1=O)=O)Nc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.0725 |
| logD: | 2.4541 |
| logSw: | -3.8003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.411 |
| InChI Key: | RJJQNBGQXGZMHV-UHFFFAOYSA-N |