이름: {2-[3-cyclopentylmethyl-3-(2,3,4-trifluoro-phenyl)ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester
SMILES:
CCOC(=O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2F)s1Molecular Processing
Molecular formula
C20H22F3N3O3S2
Molecular weight
473.54
Exact mass
473.1055
XLogP
5.44
TPSA
71.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
114.11
Supplementary Information
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