SMILES:
CCOC(=O)c1[nH]c(C=C2C(=O)Nc3cccc(C4CCNCC4)c32)c(CCC(=O)O)c1CMolecular Processing
Molecular formula
C25H29N3O5
Molecular weight
451.52
Exact mass
451.2107
XLogP
3.48
TPSA
120.52
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
125.23
Supplementary Information
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