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1420071-30-2 | 1H-Isoindole-1,3(2H)-dione, 5-[5-[[(5Z)-3-(4-bromophenyl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-
CAS No: 1420071-30-2 Catalog No: AG001HJG MDL No:MFCD28118988
Product Description
Catalog Number:
AG001HJG
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-[5-[[(5Z)-3-(4-bromophenyl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-
CAS Number:
1420071-30-2
Molecular Formula:
C22H12BrN3O4S
Molecular Weight:
494.3174
MDL Number:
MFCD28118988
IUPAC Name:
5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22?
InChI Key:
ULBOWKXOFOTCMU-NLDKGBHCSA-N
SMILES:
Brc1ccc(cc1)N1C(=N)S/C(=C\c2ccc(o2)c2ccc3c(c2)C(=O)NC3=O)/C1=O
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
492.973g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.319g/mol
Monoisotopic Mass:
492.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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