Name: tert-butyl 4-({2-[5-chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridin-1(2H)-yl]-4-methylpentanoyl}amino)benzoate
SMILES:
CC(C)CC(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)n1cc(Cl)c(-c2cc(Cl)ccc2C#N)cc1=OMolecular Processing
Molecular formula
C29H29Cl2N3O4
Molecular weight
554.47
Exact mass
553.1535
XLogP
6.87
TPSA
101.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
149.61
Supplementary Information
Details werden geladen…
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