Nombre: (E)-2-[2-[3-[2-[4-(cyclobutyl)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzoic acid methyl ester
SMILES:
COC(=O)c1ccccc1CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1Molecular Processing
Molecular formula
C25H24N2O3S
Molecular weight
432.55
Exact mass
432.1508
XLogP
5.55
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
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
0.24
Molar refractivity
124.19
Supplementary Information
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