이름: 4-(3-bromo-5-methoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-piperazinemethanamine
SMILES:
COc1cc(Br)cc(N2CCN(Cc3ccc(OC)c(OC)c3)C(CN)C2)c1Molecular Processing
Molecular formula
C21H28BrN3O3
Molecular weight
450.38
Exact mass
449.1314
XLogP
3.12
TPSA
60.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
115.71
Supplementary Information
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