CN(C)C(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)C4=C(C=CS4)OC)N
이름: 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)C4=C(C=CS4)OC)N

Molecular Processing

Molecular formula
C20H18N6O3S
Molecular weight
422.47
Exact mass
422.1161
XLogP
3.21
TPSA
120.26
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
113.05

Supplementary Information

InChIKey: BMOZRGCSBVNIDB-UHFFFAOYSA-N
동의어
4-(5-amino-6-(5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamideSCHEMBL2511450CHEMBL5934099BMOZRGCSBVNIDB-UHFFFAOYSA-NBDBM420668US10479784, Compound IA-172
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