Nom: Ethyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-isopropoxypiperidin-1-yl)-1,3-benzothiazole-7-carboxylate
SMILES:
CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](OC(C)C)C3)sc12Molecular Processing
Molecular formula
C24H30ClN5O4S
Molecular weight
520.06
Exact mass
519.1707
XLogP
4.21
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
136.65
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→