Name: 5-phenyl-6-[4({[4-(1,2,3-thiadiazol-4-yl)benzyl]amino}methyl)phenyl]nicotinonitrile
SMILES:
N#Cc1cnc(-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)c(-c2ccccc2)c1Molecular Processing
Molecular formula
C28H21N5S
Molecular weight
459.58
Exact mass
459.1518
XLogP
6.1
TPSA
74.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
135.71
Supplementary Information
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