SMILES:
Cc1cc(N2CCC(=O)CC2)c2c(C)c(C)n(-c3ccc(Cl)cc3Cl)c2n1Molecular Processing
Molecular formula
C21H21Cl2N3O
Molecular weight
402.33
Exact mass
401.1062
XLogP
5.43
TPSA
38.13
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.76
Supplementary Information
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