SMILES:
O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12Molecular Processing
Molecular formula
C25H26N4O2
Molecular weight
414.51
Exact mass
414.2056
XLogP
4.86
TPSA
65.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
120.89
Supplementary Information
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