SMILES:
CCOC(=O)C1=C(Nc2ccc(N(C)C)cc2)OC(=Cc2c[nH]c3ncccc23)C1=O.ClMolecular Processing
Molecular formula
C23H23ClN4O4
Molecular weight
454.91
Exact mass
454.1408
XLogP
3.88
TPSA
96.55
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.174
Molar refractivity
125.46
Supplementary Information
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