CC(CN(C)C(=O)C1(O)CC1)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
SMILES: CC(CN(C)C(=O)C1(O)CC1)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

Molecular Processing

Molecular formula
C28H28ClN5O4
Molecular weight
534.02
Exact mass
533.183
XLogP
4.75
TPSA
109.7
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
144.75

Supplementary Information

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