CN1C2=C(C=C(C=C2)C(=O)O)N=C1NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F
이름: 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
SMILES: CN1C2=C(C=C(C=C2)C(=O)O)N=C1NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F

Molecular Processing

Molecular formula
C17H11F3N4O3S
Molecular weight
408.36
Exact mass
408.0504
XLogP
4.52
TPSA
89.27
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
97.26

Supplementary Information

InChIKey: KKJAWJDSYSWDII-UHFFFAOYSA-N
동의어
1-Methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acidSCHEMBL22456221-methyl-2-(6-trifluoromethoxy-benzo-thiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-yl-amino)-1H-benzoimidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benz-imidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzimidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzo-imidazole-5-carboxylic acid
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