SMILES:
O=C1OC2(CCN(C(=O)C3(c4ccc(OCCc5ccccn5)cc4)CC3)C2)c2ccccc21Molecular Processing
Molecular formula
C28H26N2O4
Molecular weight
454.53
Exact mass
454.1893
XLogP
4.03
TPSA
68.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
125.52
Supplementary Information
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