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890709-14-5 | 6-Ethoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 890709-14-5 Catalog No: AG01ARFI MDL No:MFCD10008533
Product Description
Catalog Number:
AG01ARFI
Chemical Name:
6-Ethoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
890709-14-5
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
MDL Number:
MFCD10008533
IUPAC Name:
6-ethoxy-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C13H17N3OS/c1-2-17-10-3-4-11-12(9-10)18-13(15-11)16-7-5-14-6-8-16/h3-4,9,14H,2,5-8H2,1H3
InChI Key:
KCTUDQILLFDCQT-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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