Nombre: 2-{[4-(2-Aminoethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCN)cs1Molecular Processing
Molecular formula
C13H22N2O2S2
Molecular weight
302.46
Exact mass
302.1123
XLogP
2.86
TPSA
65.21
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
80.65
Supplementary Information
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