Cas no 894590-26-2 (N-Phenethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide)

N-Phenethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide structure
894590-26-2 structure
Product Name:N-Phenethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS No:894590-26-2
MF:C16H18N2O2
MW:270.326323986053
CID:2110206
Update Time:2023-08-04

N-Phenethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • N-phenethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
    • HMS1640B15
    • ST50675964
    • N-(2-phenylethyl)-4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-ylcarboxamide
    • N-Phenethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
    • Inchi： 1S/C16H18N2O2/c19-16(17-11-10-12-6-2-1-3-7-12)15-13-8-4-5-9-14(13)20-18-15/h1-3,6-7H,4-5,8-11H2,(H,17,19)
    • InChI Key： HODYEGSYLHQZEM-UHFFFAOYSA-N
    • SMILES： O1C2=C(C(C(NCCC3C=CC=CC=3)=O)=N1)CCCC2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 328
  • Topological Polar Surface Area: 55.1

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