CC(C)(C)OC(=O)N1CCC(n2cnc3c(cc(Cc4ccc(Cl)nc4)c4ccccc43)c2=O)C(O)C1
SMILES: CC(C)(C)OC(=O)N1CCC(n2cnc3c(cc(Cc4ccc(Cl)nc4)c4ccccc43)c2=O)C(O)C1

Molecular Processing

Molecular formula
C28H29ClN4O4
Molecular weight
521.02
Exact mass
520.1877
XLogP
4.73
TPSA
97.55
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
143.03

Supplementary Information

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