الاسم: ethyl 4-[(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydro-1-iso-propyl-6-quinolinyl)ethynyl]benzoate
SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(=O)N3C(C)C)cc1Molecular Processing
Molecular formula
C25H27NO3
Molecular weight
389.5
Exact mass
389.1991
XLogP
4.69
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
115.09
Supplementary Information
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