N-methyl-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Chemical Structure Depiction of
N-methyl-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
N-methyl-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | C548-3780 |
| Compound Name: | N-methyl-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C22 H25 N5 O6 S |
| Smiles: | CN(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)S(c1ccc2c(CCC(N2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5163 |
| logD: | 1.515 |
| logSw: | -2.7005 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.658 |
| InChI Key: | QESBRSWICJSQKY-UHFFFAOYSA-N |