이름: 1,1-dimethylethyl 7-(5-chloro-2-{[(4-methyl-2-pyridinyl)methyl]oxy}phenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate
SMILES:
Cc1ccnc(COc2ccc(Cl)cc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1Molecular Processing
Molecular formula
C27H29ClN2O3
Molecular weight
464.99
Exact mass
464.1867
XLogP
6.58
TPSA
51.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
130.54
Supplementary Information
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