CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(N2CC(=O)NC4=NC=C(C=C4)Cl)C=CC(=C3)C(=O)O
الاسم: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-5-carboxylic acid
SMILES: CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(N2CC(=O)NC4=NC=C(C=C4)Cl)C=CC(=C3)C(=O)O

Molecular Processing

Molecular formula
C24H27ClN6O4
Molecular weight
498.97
Exact mass
498.1782
XLogP
3.02
TPSA
129.45
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
131.77

Supplementary Information

InChIKey: OTHZUYXCXAQVKE-UHFFFAOYSA-N
مرادفات
SCHEMBL3369596OTHZUYXCXAQVKE-UHFFFAOYSA-N1-[(5-chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-5-carboxylic acid
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