Cas no 175702-02-0 (NND-23022702)

NND-23022702 structure
NND-23022702 structure
Product Name:NND-23022702
CAS No:175702-02-0
MF:C39H36N4O7
MW:672.73
CID:5148035
PubChem ID:10484617
Update Time:2024-03-01

NND-23022702 Chemical and Physical Properties

Names and Identifiers

    • 2-Propenamide, N-[2-[5,5'-dihydroxy-3'-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]ethyl][4,4'-bi-1H-indol]-3-yl]ethyl]-3-(4-hydroxyphenyl)-, (2E)-
    • CHEMBL4203940
    • (2E)-N-[2-[5,5'-Dihydroxy-3'-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]ethyl][4,4'-bi-1H-indol]-3-yl]ethyl]-3-(4-hydroxyphenyl)-2-propenamide
    • 175702-02-0
    • (E)-N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
    • 4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin
    • (2E)-N-{2-[5,5'-dihydroxy-3'-(2-{[(2E)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1H,1'H-[4,4'-biindole]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
    • (2E)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enamide
    • CHEBI:185584
    • DTXSID701099392
    • NND-23022702
    • Inchi: 1S/C39H36N4O7/c1-50-33-20-24(4-11-30(33)45)6-15-35(49)41-19-17-26-22-43-29-10-13-32(47)39(37(26)29)38-31(46)12-9-28-36(38)25(21-42-28)16-18-40-34(48)14-5-23-2-7-27(44)8-3-23/h2-15,20-22,42-47H,16-19H2,1H3,(H,40,48)(H,41,49)/b14-5+,15-6+
    • InChI Key: ZPNFTINOYMQICL-PWSZKDBUSA-N
    • SMILES: C(NCCC1C2=C(NC=1)C=CC(O)=C2C1=C(O)C=CC2=C1C(CCNC(=O)/C=C/C1=CC=C(O)C(OC)=C1)=CN2)(=O)/C=C/C1=CC=C(O)C=C1

Computed Properties

  • Exact Mass: 672.25839950g/mol
  • Monoisotopic Mass: 672.25839950g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 12
  • Complexity: 1180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.7
  • Topological Polar Surface Area: 180?2
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