Name: title compound
SMILES:
Cc1c(C=C2C(=O)Nc3ccc(Cl)cc32)[nH]c2c1C(=O)N(CCN(C)C)CC2Molecular Processing
Molecular formula
C21H23ClN4O2
Molecular weight
398.89
Exact mass
398.151
XLogP
3.03
TPSA
68.44
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.64
Supplementary Information
Details werden geladen…
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