1. chem960
  2. 338398-73-5
3,5-Dichloro-N-(4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)benzamide | 338398-73-5

Product name:3,5-Dichloro-N-(4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)benzamide

CAS No:338398-73-5
MF:C21H17Cl2NOS
MW:402.336782217026
CID:5747429
PubChem ID:3575105
Names and Identifiers
  • 2H-421S
  • 338398-73-5
  • AKOS005084998
  • 3,5-dichloro-N-(4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)benzamide
  • 3,5-dichloro-N-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]benzamide
  • 3,5-dichloro-N-(4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)benzenecarboxamide
  • InChIKey:YLNLYQXYZWMTLR-UHFFFAOYSA-N
  • Inchi:1S/C21H17Cl2NOS/c1-14-2-8-20(9-3-14)26-13-15-4-6-19(7-5-15)24-21(25)16-10-17(22)12-18(23)11-16/h2-12H,13H2,1H3,(H,24,25)
  • SMILES:ClC1C=C(C=C(C=1)C(NC1C=CC(=CC=1)CSC1C=CC(C)=CC=1)=O)Cl
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 401.0407907g/mol
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 401.0407907g/mol
  • Heavy Atom Count: 26
  • Complexity: 437
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 6.4
  • Topological Polar Surface Area: 54.4Ų
©2008-2024 chem960.com All rights reserved