CC(C)N1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5
الاسم: 2-[[4-(1-propan-2-yl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILES: CC(C)N1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

Molecular Processing

Molecular formula
C27H24N4O
Molecular weight
420.52
Exact mass
420.195
XLogP
6.32
TPSA
52.83
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
127.35

Supplementary Information

InChIKey: ZBVZRRRHCWSVNJ-UHFFFAOYSA-N
مرادفات
SCHEMBL3269898SCHEMBL30123678ZBVZRRRHCWSVNJ-UHFFFAOYSA-N2-[4-(1-Isopropyl-4-pyridin4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline2-[4-(1-Isopropyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
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