SMILES:
C#CC1(NC(=O)C(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)CCCCC1Molecular Processing
Molecular formula
C29H37N3O2
Molecular weight
459.63
Exact mass
459.2886
XLogP
4.44
TPSA
44.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
138.24
Supplementary Information
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