Nom: methyl 2-[[(2′-cyanobiphenyl-4-yl)methyl]amino]-3-(3-ethylthioureido)benzoate
SMILES:
CCNC(=S)Nc1cccc(C(=O)OC)c1NCc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C25H24N4O2S
Molecular weight
444.56
Exact mass
444.162
XLogP
4.93
TPSA
86.18
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
131.6
Supplementary Information
Récupération des détails…
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