Cn1cncc1C(N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1)c1ccc(Cl)cn1
SMILES: Cn1cncc1C(N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1)c1ccc(Cl)cn1

Molecular Processing

Molecular formula
C29H25Cl2N5O
Molecular weight
530.46
Exact mass
529.1436
XLogP
5.76
TPSA
78.73
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
147.9

Supplementary Information

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