CCOC1=CC2=C(C=C1)C(=C(N2C3CCC3)C4=CC=C(C=C4)N)C#N
الاسم: 2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile
SMILES: CCOC1=CC2=C(C=C1)C(=C(N2C3CCC3)C4=CC=C(C=C4)N)C#N

Molecular Processing

Molecular formula
C21H21N3O
Molecular weight
331.42
Exact mass
331.1685
XLogP
4.89
TPSA
63.97
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
100.56

Supplementary Information

InChIKey: PXUQTFOTRODZNF-UHFFFAOYSA-N
مرادفات
SCHEMBL982506PXUQTFOTRODZNF-UHFFFAOYSA-N2-(4-aminophenyl)-1-cyclobutyl-6-ethoxy-indole-3-carbonitrile2-(4-aminophenyl)-1-cyclobutyl-6-ethoxy-1H-indole-3-carbonitrile
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