이름: 4-(4-tert-Butylphenylsulfanylmethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
SMILES:
COc1ccccc1-c1ccc2c(c1)C(CSc1ccc(C(C)(C)C)cc1)=CC(C)(C)N2Molecular Processing
Molecular formula
C29H33NOS
Molecular weight
443.66
Exact mass
443.2283
XLogP
8.04
TPSA
21.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
139.97
Supplementary Information
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