methyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0334 |
| Compound Name: | methyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C21 H22 N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2456 |
| logD: | -1.0415 |
| logSw: | -3.756 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.291 |
| InChI Key: | VKIIWNUKHQPRCD-SFHVURJKSA-N |