이름: 2-[(4-{2-[(4-bromobenzyl)oxy]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid ethyl ester
SMILES:
CCOC(=O)C(C)(C)Sc1nc(CCOCc2ccc(Br)cc2)cs1Molecular Processing
Molecular formula
C18H22BrNO3S2
Molecular weight
444.42
Exact mass
443.0224
XLogP
5.1
TPSA
48.42
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
106.19
Supplementary Information
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