SMILES:
C#CC(C)(C)NCC(O)COc1ccc(NC(=O)C2CCC2)cc1C#NMolecular Processing
Molecular formula
C20H25N3O3
Molecular weight
355.44
Exact mass
355.1896
XLogP
2.04
TPSA
94.38
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
99.54
Supplementary Information
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