2-(3-chloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-(3-chloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
2-(3-chloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 7217-0070 |
| Compound Name: | 2-(3-chloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C21 H20 Cl N3 O2 |
| Smiles: | CN1CCN(CC1)C1=C(C(c2ccccc2C1=O)=O)Nc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6727 |
| logD: | 3.0542 |
| logSw: | -3.9966 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.411 |
| InChI Key: | SLSHNBHFOIWWKA-UHFFFAOYSA-N |