Name: Name:Methyl 5-(4-chlorophenyl)-7-methyl-2-((5-(2-nitrophenyl)furan-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Brand: Angene
SKU: AG01EVOV
Rating: 90 (10 reviews)

Methyl 5-(4-chlorophenyl)-7-methyl-2-((5-(2-nitrophenyl)furan-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS No.:

358353-93-2

Catalog Number:

AG01EVOV

Molecular Formula:

C26H18ClN3O6S

Molecular Weight:

535.9556

Catalog Number:

AG01EVOV

Chemical Name:

Methyl 5-(4-chlorophenyl)-7-methyl-2-((5-(2-nitrophenyl)furan-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS Number:

358353-93-2

Molecular Formula:

C26H18ClN3O6S

Molecular Weight:

535.9556

MDL Number:

MFCD01943178

IUPAC Name:

methyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

InChI:

InChI=1S/C26H18ClN3O6S/c1-14-22(25(32)35-2)23(15-7-9-16(27)10-8-15)29-24(31)21(37-26(29)28-14)13-17-11-12-20(36-17)18-5-3-4-6-19(18)30(33)34/h3-13,23H,1-2H3/b21-13+

InChI Key:

NLMASEVYVASCCN-FYJGNVAPSA-N

SMILES:

COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])/s2

Complexity:

1050

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

535.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

535.955g/mol

Monoisotopic Mass:

535.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

143A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3