SMILES:
CN(C)C/C=C/C(=O)N1CCc2c(oc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1Molecular Processing
Molecular formula
C21H21Cl2N5O2
Molecular weight
446.34
Exact mass
445.1072
XLogP
4.28
TPSA
74.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
118.36
Supplementary Information
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