이름: ethyl cis(±)-2-(3-butoxy-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILES:
CCCCO[C@@H]1CN(c2nc(C)c(C(=O)OCC)s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1Molecular Processing
Molecular formula
C22H32ClN5O4S
Molecular weight
498.05
Exact mass
497.1864
XLogP
3.76
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
128.52
Supplementary Information
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