1-{6-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one
1-{6-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | C444-1820 |
| Compound Name: | 1-{6-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CC(N1CCCc2cc(ccc12)S(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7774 |
| logD: | 2.7774 |
| logSw: | -3.508 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.644 |
| InChI Key: | LXPIZYPHUQMQIX-UHFFFAOYSA-N |