名称: 6-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenoxy]pyridine-3-carboxamide
SMILES:
C1CN(CCN1CC2=CC=C(C=C2)OC3=NC=C(C=C3)C(=O)N)C4=CC=C(C=C4)FMolecular Processing
Molecular formula
C23H23FN4O2
Molecular weight
406.46
Exact mass
406.1805
XLogP
3.43
TPSA
71.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
113.16
Supplementary Information
InChIKey: SKNYADMAKAGJGM-UHFFFAOYSA-N
同義語
SCHEMBL3699600SKNYADMAKAGJGM-UHFFFAOYSA-N6-{4-[4-(4-fluoro-phenyl)-piperazin-1-ylmethyl]-phenoxy}-nicotinamide
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