SMILES:
CC(C)(C)OC(=O)N1CCC(CNCc2cccc(-c3ccnc(Cl)n3)c2)CC1Molecular Processing
Molecular formula
C22H29ClN4O2
Molecular weight
416.95
Exact mass
416.1979
XLogP
4.53
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
114.72
Supplementary Information
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