الاسم: {2-[3-(3-acetylamino-phenyl)-3-hexyl-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester
SMILES:
CCCCCCN(C(=O)Nc1ncc(SCC(=O)OCC)s1)c1cccc(NC(C)=O)c1Molecular Processing
Molecular formula
C22H30N4O4S2
Molecular weight
478.64
Exact mass
478.1708
XLogP
5.38
TPSA
100.63
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
130.72
Supplementary Information
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