SMILES:
Cc1c(C=C2C(=O)Nc3ccc(Cl)cc32)[nH]c2c1C(=O)N(CCN(C)C)CCC2Molecular Processing
Molecular formula
C22H25ClN4O2
Molecular weight
412.92
Exact mass
412.1666
XLogP
3.42
TPSA
68.44
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
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
0.364
Molar refractivity
116.26
Supplementary Information
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