2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-3-(4-methoxybenzoyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-3-(4-methoxybenzoyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-3-(4-methoxybenzoyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | 3719-0733 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-3-(4-methoxybenzoyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 554.6 |
| Molecular Formula: | C32 H30 N2 O7 |
| Smiles: | COc1ccc(cc1)C(C1C(C2=C(CCCC2=O)N(C=1N)c1cc(ccc1OC)OC)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7946 |
| logD: | 4.7946 |
| logSw: | -4.7517 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.32 |
| InChI Key: | CJFLVJJALKPNJH-MUUNZHRXSA-N |