4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethylphenyl)-3-nitrobenzamide
4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-7306 |
| Compound Name: | 4-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C24 H23 N3 O3 |
| Smiles: | CCc1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4632 |
| logD: | 5.4613 |
| logSw: | -5.4152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.224 |
| InChI Key: | KKSXBHOENQEYEU-UHFFFAOYSA-N |