Nombre: (E)-2-[2-[3-[2-[4-(cyclobutyl)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzoic acid
SMILES:
O=C(Cc1ccccc1C(=O)O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1Molecular Processing
Molecular formula
C24H22N2O3S
Molecular weight
418.52
Exact mass
418.1351
XLogP
5.46
TPSA
79.29
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
119.81
Supplementary Information
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