이름: {2-[3-(4-fluoro-3-methoxy-phenyl)-3-cyclopentylmethyl-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester
SMILES:
CCOC(=O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(OC)c2)s1Molecular Processing
Molecular formula
C21H26FN3O4S2
Molecular weight
467.59
Exact mass
467.1349
XLogP
5.17
TPSA
80.76
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
31
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
0.476
Molar refractivity
120.75
Supplementary Information
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