Name: cis(±)-2-(4-{[(4-chloro-5-methyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILES:
CO[C@@H]1CN(c2ncc(C(=O)O)s2)CC[C@@H]1NC(=O)c1nc(Cl)c(C)[nH]1Molecular Processing
Molecular formula
C15H18ClN5O4S
Molecular weight
399.86
Exact mass
399.0768
XLogP
1.55
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
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
0.467
Molar refractivity
96.29
Supplementary Information
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Involved in 2 reactions→