CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)N)N
Nombre: 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine
SMILES: CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)N)N

Molecular Processing

Molecular formula
C15H16N6O3S
Molecular weight
360.4
Exact mass
360.1005
XLogP
1.54
TPSA
150.88
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
91.91

Supplementary Information

InChIKey: SCOHFXULNLUFQF-UHFFFAOYSA-N
Sinónimos
5-[3-amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amineSCHEMBL2507663CHEMBL5862686SCOHFXULNLUFQF-UHFFFAOYSA-NBDBM420770US10479784, Compound IA-270
Ver fuente →
Participa en 2 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→