Name: 2-[(4-{2-[(6-chloropyridazin-3-yl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ccc(Cl)nn2)cs1Molecular Processing
Molecular formula
C17H23ClN4O2S2
Molecular weight
414.98
Exact mass
414.0951
XLogP
4.45
TPSA
77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
107.13
Supplementary Information
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