SMILES:
Cc1ccc(Nc2cnc(C3CC3)c(C)c2)c(C(=O)OC(C)(C)C)c1Molecular Processing
Molecular formula
C21H26N2O2
Molecular weight
338.45
Exact mass
338.1994
XLogP
5.27
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
100.58
Supplementary Information
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