Cas no 727416-58-2 (Communesin A; N-De-Me)

Communesin A; N-De-Me structure
Communesin A; N-De-Me structure
Product Name:Communesin A; N-De-Me
CAS No:727416-58-2
MF:C27H30N4O2
MW:442.553
CID:4474999
Update Time:2024-03-02

Communesin A; N-De-Me Chemical and Physical Properties

Names and Identifiers

    • (-)-Communesin E
    • Communesin A; N-De-Me
    • Inchi: InChI=1S/C27H30N4O2/c1-15(32)30-13-11-26-17-8-4-5-9-18(17)28-23-27(26)12-14-31(24(26)30)21(22-25(2,3)33-22)16-7-6-10-19(29-23)20(16)27/h4-10,21-24,28-29H,11-14H2,1-3H3
    • InChI Key: XJXBCJLZWKPOFG-UHFFFAOYSA-N
    • SMILES: CC(=O)N1CCC23C1N1CCC22C(Nc4cccc(C1C1OC1(C)C)c24)Nc1ccccc31 |TLB:17:18:7.6:10.9,14:25:7.6:10.9,THB:20:19:7.6:10.9|

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 33
  • XLogP3: 0.872
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