SMILES:
CC(C)[C@H](N)C(=O)OC1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.ClMolecular Processing
Molecular formula
C28H32ClN5O3
Molecular weight
522.05
Exact mass
521.2194
XLogP
5.51
TPSA
118.28
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.321
Molar refractivity
146.72
Supplementary Information
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