SMILES:
COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.ClMolecular Processing
Molecular formula
C24H30ClN5O4
Molecular weight
487.99
Exact mass
487.1986
XLogP
2.25
TPSA
90.74
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.458
Molar refractivity
131.33
Supplementary Information
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