SMILES:
CCOC(=O)C1=C(NCCc2ccccc2)OC(=Cc2c[nH]c3ncccc23)C1=O.ClMolecular Processing
Molecular formula
C23H22ClN3O4
Molecular weight
439.9
Exact mass
439.1299
XLogP
3.53
TPSA
93.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.174
Molar refractivity
119.22
Supplementary Information
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