CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4
名称: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILES: CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Molecular Processing

Molecular formula
C18H14ClN3O7S2
Molecular weight
483.91
Exact mass
482.9962
XLogP
3.68
TPSA
136.83
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
111.9

Supplementary Information

InChIKey: RKTQDYUICJAAKQ-UHFFFAOYSA-N
同義語
CHEMBL283535SCHEMBL4631821RKTQDYUICJAAKQ-UHFFFAOYSA-NBDBM50058115L0156503-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (6-acetyl-benzo[1,3]dioxol-5-yl)-amideN-(4-chloro-3-methyl-5- isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazoiyl)2-{[2-acetyl-4,5-(methyienedioxy)phenyl]-aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl) 2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4, 5-(methylenedioxy)-phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamide
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