2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxybenzoyl)-1-(2-methyl-5-nitrophenyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxybenzoyl)-1-(2-methyl-5-nitrophenyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxybenzoyl)-1-(2-methyl-5-nitrophenyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | 3719-0539 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxybenzoyl)-1-(2-methyl-5-nitrophenyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 553.57 |
| Molecular Formula: | C31 H27 N3 O7 |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C(C(=C1N)C(c1ccc(cc1)OC)=O)c1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1734 |
| logD: | 5.1734 |
| logSw: | -5.1237 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.527 |
| InChI Key: | KMLZQBLESGYYQZ-MHZLTWQESA-N |