ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8007-6684 |
| Compound Name: | ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 505.53 |
| Molecular Formula: | C27 H27 N3 O7 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)N(C=1N)c1cccc(c1)[N+]([O-])=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0498 |
| logD: | 4.0498 |
| logSw: | -4.3191 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.571 |
| InChI Key: | FLJKFVAOSMHWOB-QFIPXVFZSA-N |