SMILES:
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)n1Molecular Processing
Molecular formula
C22H25N5O
Molecular weight
375.48
Exact mass
375.2059
XLogP
3.96
TPSA
93.6
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
108.99
Supplementary Information
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