Name: ethyl 2-(2-(4-fluorobenzamido)phenyl)-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILES:
CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1ccccc1NC(=O)c1ccc(F)cc1)N2Molecular Processing
Molecular formula
C27H27FN2O3
Molecular weight
446.52
Exact mass
446.2006
XLogP
6.09
TPSA
67.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
127.2
Supplementary Information
Details werden geladen…
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