Name: 2-[2-(4-cyanophenyl)ethyl]-benzothiazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(ethoxycarbonylmethyl)-amide
SMILES:
CCOC(=O)CN(C(=O)c1ccc2sc(CCc3ccc(C#N)cc3)nc2c1)c1ccccn1Molecular Processing
Molecular formula
C26H22N4O3S
Molecular weight
470.55
Exact mass
470.1413
XLogP
4.56
TPSA
96.18
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
130.73
Supplementary Information
Details werden geladen…
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