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129303-30-6 | Isothiazolo(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-1-(phenylmethyl )-, 2,2-dioxide
CAS No: 129303-30-6 Catalog No: AG00AIGA MDL No:
Product Description
Catalog Number:
AG00AIGA
Chemical Name:
Isothiazolo(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-1-(phenylmethyl )-, 2,2-dioxide
CAS Number:
129303-30-6
IUPAC Name:
1-benzyl-3a,4,9,9a-tetrahydro-3H-[1,2]thiazolo[4,3-b]quinoxaline 2,2-dioxide
InChI:
InChI=1S/C16H17N3O2S/c20-22(21)11-15-16(18-14-9-5-4-8-13(14)17-15)19(22)10-12-6-2-1-3-7-12/h1-9,15-18H,10-11H2
InChI Key:
NHKBGLRGUGDKOG-UHFFFAOYSA-N
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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