Name: Name:Methyl 2-(2-acetoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Brand: Angene
SKU: AG01EVQJ
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Methyl 2-(2-acetoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS No.:

373370-16-2

Catalog Number:

AG01EVQJ

Molecular Formula:

C26H24N2O7S

Molecular Weight:

508.5430

Catalog Number:

AG01EVQJ

Chemical Name:

Methyl 2-(2-acetoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS Number:

373370-16-2

Molecular Formula:

C26H24N2O7S

Molecular Weight:

508.5430

MDL Number:

MFCD01945899

IUPAC Name:

methyl (2Z)-2-[(2-acetyloxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

InChI:

InChI=1S/C26H24N2O7S/c1-14-22(25(31)34-5)23(17-10-11-19(32-3)20(12-17)33-4)28-24(30)21(36-26(28)27-14)13-16-8-6-7-9-18(16)35-15(2)29/h6-13,23H,1-5H3/b21-13-

InChI Key:

KGZHCPNMIXBPFU-BKUYFWCQSA-N

SMILES:

COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccccc1OC(=O)C)/s2

Complexity:

991

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

508.13g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

508.545g/mol

Monoisotopic Mass:

508.13g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8