SMILES:
Cc1ccc2c(N3CCC(NC(=O)OCC(C)C)C3)nc(Cl)nc2c1Molecular Processing
Molecular formula
C18H23ClN4O2
Molecular weight
362.86
Exact mass
362.151
XLogP
3.55
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
99.22
Supplementary Information
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