SMILES:
CCNC(=O)c1ccc(N2CCN(Cc3cc(O)c4c(c3)NC(=O)C(C)O4)CC2)cc1Molecular Processing
Molecular formula
C23H28N4O4
Molecular weight
424.5
Exact mass
424.2111
XLogP
2.18
TPSA
94.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
118.77
Supplementary Information
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