Nom: 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 methyl ester
SMILES:
CCCC1CC(=O)C2=C(C1)NC(C)=C(C#N)C2c1cc(Br)c(OCc2cccc(OC)c2)c(C(=O)OC)c1Molecular Processing
Molecular formula
C30H31BrN2O5
Molecular weight
579.49
Exact mass
578.1416
XLogP
6.34
TPSA
97.65
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
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
0.367
Molar refractivity
146.66
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→