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56195-27-8 | alpha-[2,3-dihydro-3-[tetrahydro-1,3-bis(3-methoxypropyl)-2,4,6-trioxo-5(2H)-pyrimidin-ylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile
CAS No: 56195-27-8 Catalog No: AG00DMTV MDL No:
Product Description
Catalog Number:
AG00DMTV
Chemical Name:
alpha-[2,3-dihydro-3-[tetrahydro-1,3-bis(3-methoxypropyl)-2,4,6-trioxo-5(2H)-pyrimidin-ylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile
CAS Number:
56195-27-8
IUPAC Name:
2-(benzimidazol-2-ylidene)-2-[3-[4-hydroxy-1,3-bis(3-methoxypropyl)-2,6-dioxopyrimidin-5-yl]-2H-isoindol-1-yl]acetonitrile
InChI:
InChI=1S/C29H28N6O5/c1-39-15-7-13-34-27(36)23(28(37)35(29(34)38)14-8-16-40-2)25-19-10-4-3-9-18(19)24(33-25)20(17-30)26-31-21-11-5-6-12-22(21)32-26/h3-6,9-12,33,36H,7-8,13-16H2,1-2H3
InChI Key:
PBEKCCZDHJMWMU-UHFFFAOYSA-N
EC Number:
260-049-0
Properties
Complexity:
1250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.212g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
540.58g/mol
Monoisotopic Mass:
540.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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