Cas no 138829-47-7 (Rebeccamycin; Bis(dechloro), 2,10-difluoro, O-de-Me)

Rebeccamycin; Bis(dechloro), 2,10-difluoro, O-de-Me structure
138829-47-7 structure
Product Name:Rebeccamycin; Bis(dechloro), 2,10-difluoro, O-de-Me
CAS No:138829-47-7
MF:C26H19F2N3O7
MW:523.44177365303
CID:6724136
Update Time:2024-03-03

Rebeccamycin; Bis(dechloro), 2,10-difluoro, O-de-Me Chemical and Physical Properties

Names and Identifiers

    • Rebeccamycin; Bis(dechloro), 2,10-difluoro, O-de-Me
    • Inchi： 1S/C26H19F2N3O7/c27-8-1-3-10-12(5-8)29-19-15(10)17-18(25(37)30-24(17)36)16-11-4-2-9(28)6-13(11)31(20(16)19)26-23(35)22(34)21(33)14(7-32)38-26/h1-6,14,21-23,26,29,32-35H,7H2,(H,30,36,37)
    • InChI Key： NKNQTGRKBYNURK-UHFFFAOYSA-N
    • SMILES： OCC1C(O)C(O)C(O)C(N2C3C(=C4C(=C5C=3NC3C5=CC=C(C=3)F)C(=O)NC4=O)C3C2=CC(=CC=3)F)O1

Computed Properties

  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 38
  • XLogP3: 0.109

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