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890927-66-9 | 4-Methoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 890927-66-9 Catalog No: AG01ARFG MDL No:MFCD10008530
Product Description
Catalog Number:
AG01ARFG
Chemical Name:
4-Methoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
890927-66-9
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
MDL Number:
MFCD10008530
IUPAC Name:
4-methoxy-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3OS/c1-16-9-3-2-4-10-11(9)14-12(17-10)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3
InChI Key:
WDMCRORSEITVDM-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(s2)N1CCNCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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