SMILES:
CCOc1cc2c(nc1Cl)N1C(C)CN(C(=O)OC(C)(C)C)CC1C2Molecular Processing
Molecular formula
C18H26ClN3O3
Molecular weight
367.88
Exact mass
367.1663
XLogP
3.5
TPSA
54.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
97.66
Supplementary Information
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