الاسم: 2-{[4-(2-{(4-Bromophenyl)[(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(Br)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1Molecular Processing
Molecular formula
C25H28BrN3O6S3
Molecular weight
642.62
Exact mass
641.0324
XLogP
6.46
TPSA
119.71
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
153.37
Supplementary Information
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