CC1(O)CCN(c2nc(Cl)nc(NNC(=O)C(CC3CCCC3)CN(C=O)OCc3ccccc3)c2F)C1
SMILES: CC1(O)CCN(c2nc(Cl)nc(NNC(=O)C(CC3CCCC3)CN(C=O)OCc3ccccc3)c2F)C1

Molecular Processing

Molecular formula
C26H34ClFN6O4
Molecular weight
549.05
Exact mass
548.2314
XLogP
3.46
TPSA
119.92
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
140.29

Supplementary Information

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