COc1ccc(-n2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C3CC3)n2)cc1
SMILES: COc1ccc(-n2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C3CC3)n2)cc1

Molecular Processing

Molecular formula
C29H36N4O4
Molecular weight
504.63
Exact mass
504.2737
XLogP
5.5
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
143.56

Supplementary Information

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