SMILES:
O=C(c1cc(N2CCC(N3CCc4ccccc4NC3=O)CC2)ccn1)N1CCc2ccccc21Molecular Processing
Molecular formula
C28H29N5O2
Molecular weight
467.57
Exact mass
467.2321
XLogP
4.34
TPSA
68.78
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
137.17
Supplementary Information
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