CC(C)C1=CC(=C(C=C1OC(=CNC2=CC=CC=C2)C#N)I)OC
CAS: 927887-23-8
Nombre: 3-anilino-2-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)prop-2-enenitrile
SMILES: CC(C)C1=CC(=C(C=C1OC(=CNC2=CC=CC=C2)C#N)I)OC

Molecular Processing

Molecular formula
C19H19IN2O2
Molecular weight
434.28
Exact mass
434.0491
XLogP
5.28
TPSA
54.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
104.19

Supplementary Information

InChIKey: KISVWNQQXAJRPU-UHFFFAOYSA-N
Sinónimos
SCHEMBL2479606KISVWNQQXAJRPU-UHFFFAOYSA-NDB-126390(Z)-2-(5-iodo-2-isopropyl-4-methoxyphenoxy)-3-(phenylamino)acrylonitrile2-(5-iodo-2-isopropyl-4-methoxy-phenoxy)-3-phenylamino-acrylonitrile927887-23-8
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