الاسم: N-[4-(4-piperidinomethyl-2-pyridyloxy) -cis-2-butenyl]-4-(2-hydroxyethylthio)butyramide
SMILES:
O=C(CCCSCCO)NC/C=C\COc1cc(CN2CCCCC2)ccn1Molecular Processing
Molecular formula
C21H33N3O3S
Molecular weight
407.58
Exact mass
407.2243
XLogP
2.62
TPSA
74.69
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
114.65
Supplementary Information
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