CCN(Cc1ccc(OC)cc1)c1nc(Nc2cc(C#N)cc(C3CN(C(=O)OC(C)(C)C)C3)c2Cl)nn2c(C#N)cnc12
SMILES: CCN(Cc1ccc(OC)cc1)c1nc(Nc2cc(C#N)cc(C3CN(C(=O)OC(C)(C)C)C3)c2Cl)nn2c(C#N)cnc12

Molecular Processing

Molecular formula
C31H32ClN9O3
Molecular weight
614.11
Exact mass
613.2317
XLogP
5.63
TPSA
144.7
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
165.21

Supplementary Information

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