2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-5(1H)-one
2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | 3719-0706 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 552.63 |
| Molecular Formula: | C33 H32 N2 O6 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)N2c2cc(ccc2OC)OC)C(c2ccccc2)=O)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3322 |
| logD: | 5.3322 |
| logSw: | -5.4774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.776 |
| InChI Key: | YTOMUNBZSZBTRS-MUUNZHRXSA-N |