SMILES:
COc1ccccc1C1(c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)CC1Molecular Processing
Molecular formula
C26H31N5O2
Molecular weight
445.57
Exact mass
445.2478
XLogP
3.89
TPSA
74.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
127.65
Supplementary Information
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