Name: (S)-2-amino-3-(4-chlorophenyl)-N-(3-(pyridin-4-yl)isoxazol-5-yl)propanamide
SMILES:
N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(-c2ccncc2)no1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C19H16ClF3N4O4
Molecular weight
456.81
Exact mass
456.0812
XLogP
3.53
TPSA
131.34
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.158
Molar refractivity
105.19
Supplementary Information
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