Cc1cc(Cl)nc2nc(N3C(=O)c4ccccc4C3CC(=O)N3CCC(=O)CC3)ccc12
SMILES: Cc1cc(Cl)nc2nc(N3C(=O)c4ccccc4C3CC(=O)N3CCC(=O)CC3)ccc12

Molecular Processing

Molecular formula
C24H21ClN4O3
Molecular weight
448.91
Exact mass
448.1302
XLogP
3.87
TPSA
83.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
120.72

Supplementary Information

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