CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1.Cl
SMILES: CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1.Cl

Molecular Processing

Molecular formula
C29H33ClN6O3
Molecular weight
549.08
Exact mass
548.2303
XLogP
4.52
TPSA
107
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.276
Molar refractivity
157.09

Supplementary Information

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