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Home> Hot Product Listed A   > AKOS005266098
17560-51-9 structure

AKOS005266098

Iupac Name:7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,
2-dihydroquinazoline-6-sulfonamide
CAS No.:17560-51-9
Molecular Weight:365.83454
Molecular Formula:C22H18N6O4S (isomer)
Names and Identifiers
Synonyms

(2-methoxy-phenyl)-methylamino-acetic acid

Inchi
InChI=1/C16H16ClN3O4S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(25(22,23)24-18)7-11(13)16(20)21/h3-8,10,19H,18H2,1-2H3
InChkey
AQCHWTWZEMGIFD-UHFFFAOYSA-N
Canonical Smiles
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl
Properties
Melting Point
255 - 257 C
Vapour
7.82E-15mmHg at 25°C
Refractive Index
1.624
Safety and Handling
Transport
25kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 17560-51-9 EC: AKOS005266098 ·ECHA C&L Inventory for CAS: CAS: 17560-51-9 EC: AKOS005266098
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:365.83454g/mol
  • Molecular Formula:C22H18N6O4S
  • XLogP3-AA:4.1
  • Exact Mass:365.06009
  • Monoisotopic Mass:365.06009
  • Complexity:594
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:101
  • Heavy Atom Count:24
  • 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:1
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