CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(C=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl)C(=O)O
الاسم: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylic acid
SMILES: CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(C=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl)C(=O)O

Molecular Processing

Molecular formula
C25H26ClN5O4S
Molecular weight
528.03
Exact mass
527.1394
XLogP
4.76
TPSA
113.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
137.82

Supplementary Information

InChIKey: OKUVXXZKJBEARR-UHFFFAOYSA-N
مرادفات
SCHEMBL1379493OKUVXXZKJBEARR-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid
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