4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide
4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-7552 |
| Compound Name: | 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C25 H25 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8708 |
| logD: | 5.8688 |
| logSw: | -5.549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.224 |
| InChI Key: | NMNWGZBBDPXMHN-UHFFFAOYSA-N |