Cas no 58668-51-2 (2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate)

2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate structure
58668-51-2 structure
Product Name:2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate
CAS No:58668-51-2
MF:C21H16N4O3S
MW:404.441742897034
CID:2833690
PubChem ID:21413318
Update Time:2025-04-21

2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate Chemical and Physical Properties

Names and Identifiers

    • 2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate
    • DTXSID70613388
    • SCHEMBL11724340
    • 58668-51-2
    • Inchi: 1S/C21H16N4O3S/c26-19(22-14-7-3-1-4-8-14)25-20-24-17-12-11-16(13-18(17)29-20)28-21(27)23-15-9-5-2-6-10-15/h1-13H,(H,23,27)(H2,22,24,25,26)
    • InChI Key: HJIVMEVMWYBVQI-UHFFFAOYSA-N
    • SMILES: S1C(NC(NC2C=CC=CC=2)=O)=NC2C=CC(=CC1=2)OC(NC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 404.09431156Da
  • Monoisotopic Mass: 404.09431156Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 566
  • 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: 4.4
  • Topological Polar Surface Area: 121?2

2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate Related Literature

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