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136538-85-7 | Acetamide, N-[3',6'-bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5(or 6)-yl]-2-iodo- (9CI)
CAS No: 136538-85-7 Catalog No: AG00121P MDL No:
Product Description
Catalog Number:
AG00121P
Chemical Name:
Acetamide, N-[3',6'-bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5(or 6)-yl]-2-iodo- (9CI)
CAS Number:
136538-85-7
Molecular Formula:
C26H24IN3O4
Molecular Weight:
569.3909
IUPAC Name:
N-[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]-2-iodoacetamide
InChI:
InChI=1S/C26H24IN3O4/c1-29(2)16-6-9-20-22(12-16)33-23-13-17(30(3)4)7-10-21(23)26(20)19-8-5-15(28-24(31)14-27)11-18(19)25(32)34-26/h5-13H,14H2,1-4H3,(H,28,31)
InChI Key:
HENCSKZMSUJDLA-UHFFFAOYSA-N
SMILES:
ICC(=O)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.081g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
569.399g/mol
Monoisotopic Mass:
569.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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