SMILES:
COCCCNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3NCC(C)C)CC2)nc1Molecular Processing
Molecular formula
C24H34N6O3
Molecular weight
454.58
Exact mass
454.2692
XLogP
2.27
TPSA
99.69
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
128.74
Supplementary Information
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