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22916-53-6 | Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-(4-morpholinylmethyl)-
CAS No: 22916-53-6 Catalog No: AG002LH2 MDL No:
Product Description
Catalog Number:
AG002LH2
Chemical Name:
Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-(4-morpholinylmethyl)-
CAS Number:
22916-53-6
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
IUPAC Name:
2-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
InChI:
InChI=1S/C14H15N3O2S/c18-13-12(9-16-5-7-19-8-6-16)20-14-15-10-3-1-2-4-11(10)17(13)14/h1-4,12H,5-9H2
InChI Key:
LFGXPDRGMZWIDX-UHFFFAOYSA-N
SMILES:
O=C1C(CN2CCOCC2)Sc2n1c1ccccc1n2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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