4-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-1-methyl-3-nitroquinolin-2(1H)-one
Chemical Structure Depiction of
4-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-1-methyl-3-nitroquinolin-2(1H)-one
4-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-1-methyl-3-nitroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 8015-3848 |
| Compound Name: | 4-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-1-methyl-3-nitroquinolin-2(1H)-one |
| Molecular Weight: | 447.32 |
| Molecular Formula: | C21 H20 Cl2 N4 O3 |
| Smiles: | CN1C(C(=C(c2ccccc12)N1CCN(CC1)Cc1ccc(cc1[Cl])[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.055 |
| logD: | 4.0545 |
| logSw: | -4.3212 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.589 |
| InChI Key: | KIYBHEBGBDUSAN-UHFFFAOYSA-N |