SMILES:
CC(C)(Nc1cccc(C2CC(C)(C)c3cc(C#N)cc(Cl)c3N2)c1)C(=O)OMolecular Processing
Molecular formula
C22H24ClN3O2
Molecular weight
397.91
Exact mass
397.1557
XLogP
5.32
TPSA
85.15
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
111.95
Supplementary Information
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