이름: 5-(4-carboxy-thiazol-2-yl)-indole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)n1ccc2cc(-c3nc(C(=O)O)cs3)ccc21Molecular Processing
Molecular formula
C17H16N2O4S
Molecular weight
344.39
Exact mass
344.0831
XLogP
4.25
TPSA
81.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.64
Supplementary Information
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