Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6774281
81209-39-4 structure

T6774281

CAS No.:81209-39-4
Molecular Weight:415.77946
Molecular Formula:C20H24N6O3S (isomer)
Names and Identifiers
Synonyms

2-methylpropyl 4-(phenylcarbamoyl)-1,4-diazepane-1-carboxylate MCULE-4318362844 MOLPORT-009-119-169 Z992450766 ZINC58185995

Inchi
InChI=1S/C11H20O2.C3H4O2.C2H2Cl2.C2H3Cl/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-2-3(4)5;1-2(3)4;1-2-3/h6,10H,3-5,7-9H2,1-2H3;2H,1H2,(H,4,5);1H2;2H,1H2
Canonical Smiles
CCCCC(CC)COC(=O)C=C.C=CC(=O)O.C=CCl.C=C(Cl)Cl
Computational chemical data
  • Molecular Weight:415.77946g/mol
  • Molecular Formula:C20H24N6O3S
  • Exact Mass:414.113143
  • Monoisotopic Mass:414.113143
  • Complexity:245
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.6
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<