4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methyl-5-nitrophenyl)benzamide
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methyl-5-nitrophenyl)benzamide
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methyl-5-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | 8264-0675 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methyl-5-nitrophenyl)benzamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C24 H23 N3 O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4367 |
| logD: | 4.0988 |
| logSw: | -4.1694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.408 |
| InChI Key: | CLSFVMWBQKWXIJ-UHFFFAOYSA-N |