名称: butyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-5-methyl-1,3-oxazole-4-carboxylate
SMILES:
CCCCOC(=O)c1nc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)oc1CMolecular Processing
Molecular formula
C21H30ClN5O5
Molecular weight
467.95
Exact mass
467.1935
XLogP
2.9
TPSA
122.58
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
32
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
0.619
Molar refractivity
118.29
Supplementary Information
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