Name: 5-chloro-2-isopropyl-6-phenyl[1,2,4]triazolo[1,5-a]pyrimidine
SMILES:
CC(C)c1nc2nc(Cl)c(-c3ccccc3)cn2n1Molecular Processing
Molecular formula
C14H13ClN4
Molecular weight
272.74
Exact mass
272.0829
XLogP
3.57
TPSA
43.08
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
75.32
Supplementary Information
Details werden geladen…
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