SMILES:
CCCCCC(C)N(CCCC)c1ccc(C2=C(C#N)C(=C(C#N)C#N)NC2=O)cc1Molecular Processing
Molecular formula
C25H29N5O
Molecular weight
415.54
Exact mass
415.2372
XLogP
4.97
TPSA
103.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
121.23
Supplementary Information
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