Name: 4-(2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-benzaldehyde
SMILES:
Cc1nc2nc(-c3ccc(C=O)cc3)c(-c3ccccc3)cn2n1Molecular Processing
Molecular formula
C19H14N4O
Molecular weight
314.35
Exact mass
314.1168
XLogP
3.58
TPSA
60.15
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
91.78
Supplementary Information
Details werden geladen…
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