SMILES:
CCOC(=O)c1cc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc(C)n1Molecular Processing
Molecular formula
C20H27ClN6O4
Molecular weight
450.93
Exact mass
450.1782
XLogP
1.92
TPSA
122.33
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
114.58
Supplementary Information
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