SMILES:
C=C1OC(=NN)C(c2ccccc2)C(=O)N1C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C21H20Cl2N4O3
Molecular weight
447.32
Exact mass
446.0912
XLogP
4.1
TPSA
97.02
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
117.05
Supplementary Information
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