이름: 4-Cyclopentylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
SMILES:
COc1ccccc1-c1ccc2c(c1)C(CSC1CCCC1)=CC(C)(C)N2Molecular Processing
Molecular formula
C24H29NOS
Molecular weight
379.57
Exact mass
379.197
XLogP
6.63
TPSA
21.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
118.82
Supplementary Information
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