COCC(=O)N(C)C[C@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
SMILES: COCC(=O)N(C)C[C@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

Molecular Processing

Molecular formula
C27H28ClN5O4
Molecular weight
522.01
Exact mass
521.183
XLogP
4.87
TPSA
98.7
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
142.44

Supplementary Information

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