SMILES:
CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NC)nc32)C(O)C1OMolecular Processing
Molecular formula
C28H31N7O5
Molecular weight
545.6
Exact mass
545.2387
XLogP
1.19
TPSA
163.52
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
146.54
Supplementary Information
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