C=CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=CN(C4=NC=C3)S(=O)(=O)C5=CC=CC=C5
الاسم: 1-(benzenesulfonyl)-4-[3-(4-nitrophenyl)-1-prop-2-enylpyrazol-4-yl]pyrrolo[2,3-b]pyridine
SMILES: C=CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=CN(C4=NC=C3)S(=O)(=O)C5=CC=CC=C5

Molecular Processing

Molecular formula
C25H19N5O4S
Molecular weight
485.53
Exact mass
485.1158
XLogP
4.9
TPSA
112.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.04
Molar refractivity
132.27

Supplementary Information

InChIKey: JPTLUBSKDRJVMD-UHFFFAOYSA-N
مرادفات
SCHEMBL4309314JPTLUBSKDRJVMD-UHFFFAOYSA-N4-[3-(4-nitrophenyl)-1-(2-propen-1-yl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
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