이름: 2-{[4-(2-{(4′Fluorobiphenyl-4-yl)[(2-nitrophenyl)sulfonyl]amino}ethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCN(c2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1Molecular Processing
Molecular formula
C31H32FN3O6S3
Molecular weight
657.81
Exact mass
657.1437
XLogP
7.51
TPSA
119.71
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
44
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
171.06
Supplementary Information
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