CAS 123044-10-0 | 5-Pyrimidinecarboxylic acid, 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-phenyl-2-thioxo-, ethyl ester | CAS Number 123044-10-0

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123044-10-0 | 5-Pyrimidinecarboxylic acid, 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-phenyl-2-thioxo-, ethyl ester

CAS No: 123044-10-0 Catalog No: AG000JZG MDL No:MFCD00205606

Product Description

Catalog Number:

AG000JZG

Chemical Name:

5-Pyrimidinecarboxylic acid, 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-phenyl-2-thioxo-, ethyl ester

CAS Number:

123044-10-0

Molecular Formula:

C15H16N2O3S

Molecular Weight:

304.3641

MDL Number:

MFCD00205606

IUPAC Name:

ethyl 3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

InChI:

InChI=1S/C15H16N2O3S/c1-3-20-14(19)12-10(2)16-15(21)17(9-18)13(12)11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3,(H,16,21)

InChI Key:

XVXOSLFEAXZVPB-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=C(C)NC(=S)N(C1c1ccccc1)C=O

Properties

Complexity:

470

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

304.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

304.364g/mol

Monoisotopic Mass:

304.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501