Acetic acid, ((4,6-dihydro-4-oxo-3-(phenylmethyl)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester

Base Information

• Chemical Name: Acetic acid, ((4,6-dihydro-4-oxo-3-(phenylmethyl)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester
• CAS No.: 172984-47-3
• Molecular Formula: C28H30 N2 O3 S
• Molecular Weight: 474.6144
• DSSTox Substance ID: DTXSID50169454
• Wikidata: Q83039155
• Mol file: 172984-47-3.mol

Synonyms:172984-47-3;Acetic acid, ((4,6-dihydro-4-oxo-3-(phenylmethyl)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester;ethyl 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate;ethyl 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1//'-cyclohexane]-2-yl)sulfanylacetate;Oprea1_286268;Oprea1_381517;DTXSID50169454;FCJSVIDDHBXSTR-UHFFFAOYSA-N;STK831296;AKOS000545245;AJ-292/34008032;SR-01000509325;SR-01000509325-1;ethyl [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate;ethyl [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio]acetate;ethyl {[3-benzyl-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetate

Chemical Property of Acetic acid, ((4,6-dihydro-4-oxo-3-(phenylmethyl)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester

Chemical Property:

• Boiling Point: 638.6±65.0 °C(Predicted)
• PKA: -1.94±0.20(Predicted)
• Flash Point: 340oC
• PSA: 86.49000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 5.37180
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 474.19771400
• Heavy Atom Count: 34
• Complexity: 839

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

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