C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2ccc(C#N)cc2c1=O
SMILES: C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2ccc(C#N)cc2c1=O

Molecular Processing

Molecular formula
C22H24N4O5
Molecular weight
424.46
Exact mass
424.1747
XLogP
2.03
TPSA
114.52
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
112.41

Supplementary Information

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