Cas no 57262-78-9 (1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one)

1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one structure
57262-78-9 structure
Product Name:1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one
CAS No:57262-78-9
MF:C19H22N2OS
MW:326.455783367157
CID:6354024
PubChem ID:752159
Update Time:2024-01-06

1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one
    • SR-01000083737
    • BRD-K91079319-001-01-3
    • 1-(3-benzyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)ethanone
    • F1396-0077
    • 1-{4-benzyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-dien-6-yl}ethan-1-one
    • HMS1485G06
    • AKOS000808991
    • 1-(3-benzyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)ethanone
    • IDI1_022272
    • 1-(3-benzyl-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)ethanone
    • SR-01000083737-1
    • Z57022348
    • 57262-78-9
    • ChemDiv3_004362
    • EU-0014027
    • Inchi: 1S/C19H22N2OS/c1-14(22)21-13-20(11-15-7-3-2-4-8-15)12-17-16-9-5-6-10-18(16)23-19(17)21/h2-4,7-8H,5-6,9-13H2,1H3
    • InChI Key: HKQKKYYNDLPMLR-UHFFFAOYSA-N
    • SMILES: S1C2=C(CN(CC3C=CC=CC=3)CN2C(C)=O)C2=C1CCCC2

Computed Properties

  • Exact Mass: 326.14528450g/mol
  • Monoisotopic Mass: 326.14528450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 51.8?2

1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one Pricemore >>

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1-{4-benzyl-8-thia-4,6-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7)-dien-6-yl}ethan-1-one Related Literature

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