이름: 4-Benzylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
SMILES:
COc1ccccc1-c1ccc2c(c1)C(CSCc1ccccc1)=CC(C)(C)N2Molecular Processing
Molecular formula
C26H27NOS
Molecular weight
401.58
Exact mass
401.1813
XLogP
6.88
TPSA
21.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
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
0.231
Molar refractivity
126.71
Supplementary Information
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