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87844-18-6 | 7H-Thiazolo[3,2-b][1,2,4]triazin-7-one, 2,3-dihydro-6-(phenylmethyl)-
CAS No: 87844-18-6 Catalog No: AG004GZD MDL No:
Product Description
Catalog Number:
AG004GZD
Chemical Name:
7H-Thiazolo[3,2-b][1,2,4]triazin-7-one, 2,3-dihydro-6-(phenylmethyl)-
CAS Number:
87844-18-6
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
IUPAC Name:
6-benzyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
InChI:
InChI=1S/C12H11N3OS/c16-11-10(8-9-4-2-1-3-5-9)14-15-6-7-17-12(15)13-11/h1-5H,6-8H2
InChI Key:
OENCFVBTFSKYLU-UHFFFAOYSA-N
SMILES:
O=c1nc2SCCn2nc1Cc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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