(4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0087 |
| Compound Name: | (4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 492.48 |
| Molecular Formula: | C26 H24 N2 O8 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OCc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1368 |
| logD: | 0.4984 |
| logSw: | -4.624 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.519 |
| InChI Key: | DWTZEHFNKFSIAJ-DEOSSOPVSA-N |