2-(3,4-difluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-(3,4-difluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
2-(3,4-difluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 7217-0088 |
| Compound Name: | 2-(3,4-difluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H19 F2 N3 O2 |
| Smiles: | CN1CCN(CC1)C1=C(C(c2ccccc2C1=O)=O)Nc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2757 |
| logD: | 0.9778 |
| logSw: | -3.9559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.411 |
| InChI Key: | UNHXGPRWIAUMOT-UHFFFAOYSA-N |