Name: ethyl 5-(4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)nicotinate
SMILES:
CCOC(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)c1Molecular Processing
Molecular formula
C27H23N5O2
Molecular weight
449.51
Exact mass
449.1852
XLogP
5.25
TPSA
81.41
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
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
131.38
Supplementary Information
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