이름: ethyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(3-fluoropropoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1cnc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCCCF)C2)s1Molecular Processing
Molecular formula
C20H27ClFN5O4S
Molecular weight
487.99
Exact mass
487.1456
XLogP
3.01
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
119.46
Supplementary Information
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