4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methylphenyl)-3-nitrobenzamide
4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-7065 |
| Compound Name: | 4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C23 H21 N3 O3 |
| Smiles: | Cc1cccc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8925 |
| logD: | 4.8916 |
| logSw: | -4.6397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.224 |
| InChI Key: | OZBZIWVOVGXLRS-UHFFFAOYSA-N |