الاسم: ethyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethoxypiperidin-1-yl)-4-[(2-fluoroethyl)carbamoyl]-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCC)C2)nc1C(=O)NCCFMolecular Processing
Molecular formula
C22H30ClFN6O5S
Molecular weight
545.04
Exact mass
544.1671
XLogP
2.37
TPSA
138.54
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
132.85
Supplementary Information
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