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1092346-82-1 | 1-{4-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl}-1-ethanone
CAS No: 1092346-82-1 Catalog No: AG01FOLB MDL No:
Product Description
Catalog Number:
AG01FOLB
Chemical Name:
1-{4-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl}-1-ethanone
CAS Number:
1092346-82-1
IUPAC Name:
1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
InChI:
InChI=1S/C11H16ClN3OS/c1-9(16)15-4-2-3-14(5-6-15)8-10-7-13-11(12)17-10/h7H,2-6,8H2,1H3
InChI Key:
KHYVVLQYFWPOAU-UHFFFAOYSA-N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.779g/mol
Monoisotopic Mass:
273.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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