Nombre: 5-acetamido-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(CCO)CCO)I)C(=O)N(CCO)CCO)I

Molecular Processing

Molecular formula

C18H24I3N3O7

Molecular weight

775.12

Exact mass

774.8748

XLogP

0.31

TPSA

150.64

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.5

Molar refractivity

139.05

Supplementary Information

InChIKey: RSAFWVMQQSKZMI-UHFFFAOYSA-N

Sinónimos

SCHEMBL621840RSAFWVMQQSKZMI-UHFFFAOYSA-N5-Acetylamino-N,N,N',N'-tetrakis-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide