CC(C)(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3ccc(C#CC4CC4)cc3)[nH]c2=O)c1
SMILES: CC(C)(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3ccc(C#CC4CC4)cc3)[nH]c2=O)c1

Molecular Processing

Molecular formula
C25H25ClN4O2
Molecular weight
448.95
Exact mass
448.1666
XLogP
4.3
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
125.53

Supplementary Information

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