이름: [2-(4-acetylamino-2-methoxy-benzoylamino)-ethyl]-diethyl-methyl-ammonium iodide
SMILES:
CC[N+](C)(CC)CCNC(=O)c1ccc(NC(C)=O)cc1OC.[I-]Molecular Processing
Molecular formula
C17H28IN3O3
Molecular weight
449.33
Exact mass
449.1175
XLogP
-1.13
TPSA
67.43
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.529
Molar refractivity
91.76
Supplementary Information
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