COc1c(Nc2ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc2c1C(=O)CC(NC(C)=O)CC2
SMILES: COc1c(Nc2ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc2c1C(=O)CC(NC(C)=O)CC2

Molecular Processing

Molecular formula
C26H29ClN6O4
Molecular weight
525.01
Exact mass
524.1939
XLogP
2.99
TPSA
148.33
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
139.02

Supplementary Information

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