SMILES:
COCCNc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C(OC)OC)nc32)ncc1C#NMolecular Processing
Molecular formula
C28H40N8O5
Molecular weight
568.68
Exact mass
568.3122
XLogP
2.59
TPSA
145.18
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
154.64
Supplementary Information
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