6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
-
![6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c2dfb6d8d9e44f7d92e4058794383ce2.png "6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one")
6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
structure -
-
CAS No:
565419-05-8
-
Formula:
C23H18N4O3S2
-
Chemical Name:
6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
-
Synonyms:
6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one;SMR000067101;MLS000060539;MLS000863427;CHEMBL1335675;CHEBI:108297;HMS2330I12;ZINC2661725;AKOS000820693;MCULE-5435566678;6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one;Q27186997;Z14350612;565419-05-8;6-(2-{[4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
-
CAS No:
Description
6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one is a benzoxazine.
6-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Basic Attributes
462.5 g/mol
462.08203280 g/mol
Computed Properties
Molecular Weight:462.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:462.08203280
Monoisotopic Mass:462.08203280
Topological Polar Surface Area:140
Heavy Atom Count:32
Complexity:678
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation