الاسم: 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-5-([1,4]oxazepane-4-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
SMILES:
CC(C)N1CCC(NC(=O)c2nc3cc(C(=O)N4CCCOCC4)ccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1Molecular Processing
Molecular formula
C29H36ClN7O4
Molecular weight
582.11
Exact mass
581.2517
XLogP
3.19
TPSA
121.69
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
156.15
Supplementary Information
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