이름: 7-benzyloxy-6-methoxy-1-[1-(2-methylthiophenyl)cyclobutyl]-3,4-dihydroisoquinoline
SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccccc3SC)CCC1)=NCC2Molecular Processing
Molecular formula
C28H29NO2S
Molecular weight
443.61
Exact mass
443.1919
XLogP
6.46
TPSA
30.82
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
132.63
Supplementary Information
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