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918891-47-1 | 5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(2-benzothiazolyl)-6-ethyl-
CAS No: 918891-47-1 Catalog No: AG006AND MDL No:
Product Description
Catalog Number:
AG006AND
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(2-benzothiazolyl)-6-ethyl-
CAS Number:
918891-47-1
Molecular Formula:
C15H11N3OS2
Molecular Weight:
313.3973
IUPAC Name:
7-(1,3-benzothiazol-2-yl)-6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C15H11N3OS2/c1-2-9-12(17-15-18(14(9)19)7-8-20-15)13-16-10-5-3-4-6-11(10)21-13/h3-8H,2H2,1H3
InChI Key:
KDRYTRCPLPSWCM-UHFFFAOYSA-N
SMILES:
CCc1c(nc2n(c1=O)ccs2)c1nc2c(s1)cccc2
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.393g/mol
Monoisotopic Mass:
313.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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