SMILES:
Cc1cccc(CCCOc2ccc(C#CC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C#N)c1Molecular Processing
Molecular formula
C30H36N2O5
Molecular weight
504.63
Exact mass
504.2624
XLogP
5.28
TPSA
89.81
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
141.11
Supplementary Information
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