SMILES:
CC1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5ccccn5)CC4)CCNCC3)n21Molecular Processing
Molecular formula
C35H32Cl2N8O3
Molecular weight
683.6
Exact mass
682.1974
XLogP
4.75
TPSA
145.04
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
48
Rings
7
Aromatic rings
4
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
179.94
Supplementary Information
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