SMILES:
COc1cccc(OC(=O)NC(C(=O)NC(C)COc2ccc(C#N)cc2)C(C)C)c1Molecular Processing
Molecular formula
C23H27N3O5
Molecular weight
425.49
Exact mass
425.1951
XLogP
3.26
TPSA
109.68
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
115.04
Supplementary Information
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