SMILES:
Cc1c(C(=O)NCCC2CCCCC2)oc2cccc(OCCCNCc3cccnc3)c12Molecular Processing
Molecular formula
C27H35N3O3
Molecular weight
449.6
Exact mass
449.2678
XLogP
5.4
TPSA
76.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
130.53
Supplementary Information
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