Название: N-[4-(4-piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-6-bromohexanamide
SMILES:
O=C(CCCCCBr)NC/C=C\COc1cc(CN2CCCCC2)ccn1Molecular Processing
Molecular formula
C21H32BrN3O2
Molecular weight
438.41
Exact mass
437.1678
XLogP
4.07
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
113.27
Supplementary Information
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