이름: 1-Ethyl-3-[7-(2-fluoro-phenyl)-5-pyridin-3-yl-benzothiazol-2-yl]-urea
SMILES:
CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccc3F)c2s1Molecular Processing
Molecular formula
C21H17FN4OS
Molecular weight
392.46
Exact mass
392.1107
XLogP
5.31
TPSA
66.91
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
110.94
Supplementary Information
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