이름: 6-(2-Methoxyphenyl)-2,2-dimethyl-4-(3-methylbutylsulfanylmethyl)-1,2-dihydroquinoline
SMILES:
COc1ccccc1-c1ccc2c(c1)C(CSCCC(C)C)=CC(C)(C)N2Molecular Processing
Molecular formula
C24H31NOS
Molecular weight
381.59
Exact mass
381.2126
XLogP
6.73
TPSA
21.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
120.89
Supplementary Information
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