2-chloro-3-[4-(2-methylbenzoyl)piperazin-1-yl]naphthalene-1,4-dione
Chemical Structure Depiction of
2-chloro-3-[4-(2-methylbenzoyl)piperazin-1-yl]naphthalene-1,4-dione
2-chloro-3-[4-(2-methylbenzoyl)piperazin-1-yl]naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 5075-0048 |
| Compound Name: | 2-chloro-3-[4-(2-methylbenzoyl)piperazin-1-yl]naphthalene-1,4-dione |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C22 H19 Cl N2 O3 |
| Smiles: | Cc1ccccc1C(N1CCN(CC1)C1=C(C(c2ccccc2C1=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8145 |
| logD: | 3.8145 |
| logSw: | -4.2531 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.279 |
| InChI Key: | QPUNWXQABDKZMB-UHFFFAOYSA-N |