COc1cc(CC(=O)Nc2cccc(C3CCC(C(C)(C)C)CC3)c2)ccc1OCCO
SMILES: COc1cc(CC(=O)Nc2cccc(C3CCC(C(C)(C)C)CC3)c2)ccc1OCCO

Molecular Processing

Molecular formula
C27H37NO4
Molecular weight
439.6
Exact mass
439.2723
XLogP
5.57
TPSA
67.79
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
128.5

Supplementary Information

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