1-methyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinolin-2(1H)-one
Chemical Structure Depiction of
1-methyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinolin-2(1H)-one
1-methyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinolin-2(1H)-one
Compound characteristics
| Compound ID: | C463-0046 |
| Compound Name: | 1-methyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinolin-2(1H)-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CN1C(C=C(c2ccccc12)SCC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7349 |
| logD: | 2.7349 |
| logSw: | -3.5674 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.419 |
| InChI Key: | YJSTYEATUIMNQA-UHFFFAOYSA-N |