Cas no 123252-97-1 (2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide)

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide structure
123252-97-1 structure
Product Name:2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide
CAS No:123252-97-1
MF:C18H18ClN3O4S2
MW:439.936220645905
CID:181402
PubChem ID:3078933
Update Time:2025-04-19

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide
    • 6-chloro-2-methyl-4-(3-methylbut-2-enoxy)-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
    • DTXSID90153913
    • 123252-97-1
    • 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-4-((3-methyl-2-butenyl)oxy)-N-(2-pyridinyl)-, 1,1-dioxide
    • Inchi： 1S/C18H18ClN3O4S2/c1-11(2)7-9-26-16-15(18(23)21-14-6-4-5-8-20-14)22(3)28(24,25)12-10-13(19)27-17(12)16/h4-8,10H,9H2,1-3H3,(H,20,21,23)
    • InChI Key： NVVWBKQJPSUFLM-UHFFFAOYSA-N
    • SMILES： ClC1=CC2=C(C(=C(C(NC3C=CC=CN=3)=O)N(C)S2(=O)=O)OC/C=C(\C)/C)S1

Computed Properties

  • Exact Mass: 439.04294
  • Monoisotopic Mass: 439.0427261g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 774
  • 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: 3.4
  • Topological Polar Surface Area: 125?2

Experimental Properties

  • PSA: 88.6

2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide Related Literature

123252-97-1 (2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide,6-chloro-2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-N-2-pyridinyl-, 1,1-dioxide) Related Products

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