Nom: 3-(3-chloropropoxy)-4-methoxyanilino-N-(2,4-dichloro-5-methoxyphenyl)-2-cyano-2-propenamide
SMILES:
COc1cc(NC(=O)C(C#N)=CNc2ccc(OC)c(OCCCCl)c2)c(Cl)cc1ClMolecular Processing
Molecular formula
C21H20Cl3N3O4
Molecular weight
484.77
Exact mass
483.0519
XLogP
5.48
TPSA
92.61
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
122.79
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→