Nombre: 6-(4-allyl-4-amino-cyclohexyloxy)-7-chloro-2-(4-methoxy-benzyl)-2H-isoquinolin-1-one
SMILES:
C=CCC1(N)CCC(Oc2cc3ccn(Cc4ccc(OC)cc4)c(=O)c3cc2Cl)CC1Molecular Processing
Molecular formula
C26H29ClN2O3
Molecular weight
452.98
Exact mass
452.1867
XLogP
5.31
TPSA
66.48
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
129.93
Supplementary Information
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