Name: 4-(2-cyclopropyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
SMILES:
O=Cc1ccc(-c2nc3nc(C4CC4)nn3cc2-c2ccccc2)cc1Molecular Processing
Molecular formula
C21H16N4O
Molecular weight
340.39
Exact mass
340.1324
XLogP
4.15
TPSA
60.15
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
99.02
Supplementary Information
Details werden geladen…
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