Name: 3-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-3H-benzoimidazole-5-carboxylic acid
SMILES:
CC(C)N1CCC(NC(=O)c2nc3ccc(C(=O)O)cc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1Molecular 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
Details werden geladen…
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