名称: ethyl 4-n-butyl-2-(3-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl)]amino}azetidin-1-yl-1,3-thiazole-5-carboxylate
SMILES:
CCCCc1nc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2)sc1C(=O)OMolecular Processing
Molecular formula
C17H22ClN5O3S
Molecular weight
411.92
Exact mass
411.1132
XLogP
2.74
TPSA
111.21
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
104.13
Supplementary Information
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