C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)NC1(c2ncccn2)CC1
SMILES: C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)NC1(c2ncccn2)CC1

Molecular Processing

Molecular formula
C31H26Cl2N8O3
Molecular weight
629.51
Exact mass
628.1505
XLogP
4.41
TPSA
145.9
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
162.36

Supplementary Information

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