이름: ethyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2,2-difluoroethoxy)piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCC(F)F)C2)nc1CMolecular Processing
Molecular formula
C20H26ClF2N5O4S
Molecular weight
505.98
Exact mass
505.1362
XLogP
3.23
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
119.61
Supplementary Information
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