Name: 2-(2-chloro-benzylamino)-thiazol-4-one
SMILES:
CC(C)Oc1c(C#N)cnc2ccc(C=C3SC(NCc4ccccc4Cl)=NC3=O)nc12Molecular Processing
Molecular formula
C23H18ClN5O2S
Molecular weight
463.95
Exact mass
463.087
XLogP
4.7
TPSA
100.26
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
126.32
Supplementary Information
Details werden geladen…
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