2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0721 |
| Compound Name: | 2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Smiles: | CC(C)CN1C(C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8157 |
| logD: | 4.8157 |
| logSw: | -4.5841 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.231 |
| InChI Key: | SSKMUBASSIEJMA-UHFFFAOYSA-N |