SMILES:
CC1(C)c2cc(N3CCOCC3)c(C#CCN3CCOCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21Molecular Processing
Molecular formula
C30H30N4O3
Molecular weight
494.6
Exact mass
494.2318
XLogP
3.43
TPSA
81.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
142.19
Supplementary Information
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