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824983-18-8 | 1,2,4-Triazin-5(2H)-one, 3-[(2-benzoxazolylmethyl)thio]-6-ethyl-
CAS No: 824983-18-8 Catalog No: AG0057XR MDL No:
Product Description
Catalog Number:
AG0057XR
Chemical Name:
1,2,4-Triazin-5(2H)-one, 3-[(2-benzoxazolylmethyl)thio]-6-ethyl-
CAS Number:
824983-18-8
Molecular Formula:
C13H12N4O2S
Molecular Weight:
288.3250
IUPAC Name:
3-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-ethyl-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C13H12N4O2S/c1-2-8-12(18)15-13(17-16-8)20-7-11-14-9-5-3-4-6-10(9)19-11/h3-6H,2,7H2,1H3,(H,15,17,18)
InChI Key:
UOWLDSKIGFKRDW-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(nc1=O)SCc1nc2c(o1)cccc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.325g/mol
Monoisotopic Mass:
288.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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