SMILES:
O=C(O)c1cnccc1Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21Molecular Processing
Molecular formula
C21H16N4O3
Molecular weight
372.38
Exact mass
372.1222
XLogP
2.91
TPSA
104.21
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
102.87
Supplementary Information
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