(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester

Base Information

• Chemical Name: (4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester
• CAS No.: 450376-42-8
• Molecular Formula: C13H14 N2 O3 S
• Molecular Weight: 278.33
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00354414
• Wikidata: Q82132526
• ChEMBL ID: CHEMBL1381411
• Mol file: 450376-42-8.mol

Synonyms:450376-42-8;(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester;Methyl 2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate;Oprea1_197648;MLS000516607;CHEMBL1381411;DTXSID00354414;HMS1722L15;HMS2644E12;AKOS002075797;SMR000342767;CS-0347516;EN300-05073;SR-01000574228;SR-01000574228-1;Z56893152;Methyl2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate;(4-oxo-5,6,7,8-tetrahydro-4h-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)acetic acid methyl ester;methyl 2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl}acetate

Chemical Property of (4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester

Chemical Property:

• PSA: 89.43000
• LogP: 1.50980
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.07251349
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

97% ^*data from raw suppliers

(4-OXO-5,6,7,8-TETRAHYDRO-4H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)-ACETIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCCC3