CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I
CAS: 31122-84-6
Nombre: 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I

Molecular Processing

Molecular formula
C18H24I3N3O7
Molecular weight
775.12
Exact mass
774.8748
XLogP
0.31
TPSA
150.64
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
31
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
139

Supplementary Information

InChIKey: RSBZNKFYPLBYBR-UHFFFAOYSA-N
Sinónimos
31122-84-61,3-Benzenedicarboxamide, 5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-5-acetamido-2,4,6-triiodo-N,N'-di-(2,3-dihydroxypropyl)-N,N'-dimethylisophthalamideRefChem:918961Compound 175-Acetylamino-2,4,6-triiodo-isophthalic acid di-(N-methyl-2,3-dihydroxypropylamide)SCHEMBL619808DTXSID80875071RSBZNKFYPLBYBR-UHFFFAOYSA-NIsophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl isophthalamide1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-5-Acetamido-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
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