2-(4-chloroanilino)-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-(4-chloroanilino)-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
2-(4-chloroanilino)-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 7217-0065 |
| Compound Name: | 2-(4-chloroanilino)-3-(pyrrolidin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 352.82 |
| Molecular Formula: | C20 H17 Cl N2 O2 |
| Smiles: | C1CCN(C1)C1=C(C(c2ccccc2C1=O)=O)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4172 |
| logD: | 3.8595 |
| logSw: | -4.8166 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.3 |
| InChI Key: | QPVLMAIPXDBJAF-UHFFFAOYSA-N |