C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1
SMILES: C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1

Molecular Processing

Molecular formula
C30H28Cl2N10O3
Molecular weight
647.53
Exact mass
646.1723
XLogP
3.74
TPSA
165.79
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
164

Supplementary Information

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