CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNCc3ccccn3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNCc3ccccn3)ccc21

Molecular Processing

Molecular formula
C28H27ClN4O3
Molecular weight
503
Exact mass
502.1772
XLogP
5.67
TPSA
85.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
139.97

Supplementary Information

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