이름: tert-butyl trans-N-benzyl-[4-(1-chloro-4-vinylisoquinolin-5-yl)aminocyclohexyl]carbamate
SMILES:
C=Cc1cnc(Cl)c2cccc(N[C@H]3CC[C@H](N(Cc4ccccc4)C(=O)OC(C)(C)C)CC3)c12Molecular Processing
Molecular formula
C29H34ClN3O2
Molecular weight
492.06
Exact mass
491.234
XLogP
7.69
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
35
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
0.379
Molar refractivity
144.73
Supplementary Information
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