pentyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
pentyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1901-0027 |
| Compound Name: | pentyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C24 H30 N2 O7 |
| Smiles: | CCCCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(c(cc1[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3031 |
| logD: | 0.4073 |
| logSw: | -4.3372 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.311 |
| InChI Key: | ZPWCZTSJKRTPLG-QFIPXVFZSA-N |