Nombre: [1-allyl-4-(1-benzyloxy-7-chloro-isoquinolin-6-yloxy)-cyclohexyl]-carbamic acid tert-butyl ester
SMILES:
C=CCC1(NC(=O)OC(C)(C)C)CCC(Oc2cc3ccnc(OCc4ccccc4)c3cc2Cl)CC1Molecular Processing
Molecular formula
C30H35ClN2O4
Molecular weight
523.07
Exact mass
522.2285
XLogP
7.63
TPSA
69.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
147.33
Supplementary Information
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