Name: title compound
SMILES:
CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4ccc(NC(C)=O)cc43)c(C)c2C1=OMolecular Processing
Molecular formula
C25H31N5O3
Molecular weight
449.56
Exact mass
449.2427
XLogP
3.11
TPSA
97.54
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
130.17
Supplementary Information
Details werden geladen…
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