CCOC(=O)/C=C/c1cncc(N(C(=O)OC(C)(C)C)[C@@H]2CCN(Cc3ccccc3)C2)n1
SMILES: CCOC(=O)/C=C/c1cncc(N(C(=O)OC(C)(C)C)[C@@H]2CCN(Cc3ccccc3)C2)n1

Molecular Processing

Molecular formula
C25H32N4O4
Molecular weight
452.56
Exact mass
452.2424
XLogP
4.07
TPSA
84.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
126.54

Supplementary Information

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