Nombre: ethyl 2-{(3S,4R)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidin-1-yl}-1,3-benzothiazole-7-carboxylate
SMILES:
CCOC(=O)c1cccc2nc(N3CC[C@@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@@H](NC(CC)CC)C3)sc12Molecular Processing
Molecular formula
C26H35ClN6O3S
Molecular weight
547.13
Exact mass
546.218
XLogP
4.57
TPSA
112.24
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
37
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
0.538
Molar refractivity
147.93
Supplementary Information
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