butan-2-yl 7-(4-methoxyphenyl)-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
butan-2-yl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 7-(4-methoxyphenyl)-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: | 8009-2094 |
| Compound Name: | butan-2-yl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 534.57 |
| Molecular Formula: | C29 H30 N2 O8 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.073 |
| logD: | 1.5927 |
| logSw: | -5.4655 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.705 |
| InChI Key: | HCHAZMKINHPORA-UHFFFAOYSA-N |