2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8006-6726 |
Compound Name: | 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 493.36 |
Molecular Formula: | C24 H21 Br N4 O3 |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)[Br])c2cccc(c2)[N+]([O-])=O)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3904 |
logD: | 4.3904 |
logSw: | -4.6515 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.758 |
InChI Key: | XRPAAEULWKOIJN-NRFANRHFSA-N |