Name: 3-bromo-5-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-2-(3-methoxy-benzyloxy)-benzoic acid
SMILES:
CCCC1CC(=O)C2=C(C1)NC(C)=C(C#N)C2c1cc(Br)c(OCc2cccc(OC)c2)c(C(=O)O)c1Molecular Processing
Molecular formula
C29H29BrN2O5
Molecular weight
565.46
Exact mass
564.126
XLogP
6.25
TPSA
108.65
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
142.28
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→