Nom: 1-[2-(4-Chloro-phenyl)-ethyl]-4-(3-hydroxy-azetidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
SMILES:
CC(C)N1CCC(NC(=O)c2nc3c(C(=O)N4CC(O)C4)cccc3n2CCc2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C28H34ClN5O3
Molecular weight
524.07
Exact mass
523.235
XLogP
3.35
TPSA
90.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
144
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→