COc1c(-c2ccc3nc(N[C@@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)ncc3c2)ccc(C(=O)O)c1C
SMILES: COc1c(-c2ccc3nc(N[C@@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)ncc3c2)ccc(C(=O)O)c1C

Molecular Processing

Molecular formula
C27H32N4O5
Molecular weight
492.58
Exact mass
492.2373
XLogP
5.17
TPSA
122.67
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
137.64

Supplementary Information

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