2-[4-(benzenesulfonyl)piperazin-1-yl]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-[4-(benzenesulfonyl)piperazin-1-yl]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
2-[4-(benzenesulfonyl)piperazin-1-yl]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 5609-1247 |
| Compound Name: | 2-[4-(benzenesulfonyl)piperazin-1-yl]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | C1CCN(C1)C1=C(C(c2ccccc2C1=O)=O)N1CCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7163 |
| logD: | 3.7143 |
| logSw: | -4.1472 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.078 |
| InChI Key: | MABSEHKFKKXAFE-UHFFFAOYSA-N |