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89723-24-0 | Thieno[2,3-b]pyridine, 6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-
CAS No: 89723-24-0 Catalog No: AG0042D2 MDL No:
Product Description
Catalog Number:
AG0042D2
Chemical Name:
Thieno[2,3-b]pyridine, 6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-
CAS Number:
89723-24-0
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thieno[2,3-b]pyridine
InChI:
InChI=1S/C12H13N3S/c1-2-7-14-11(13-6-1)10-4-3-9-5-8-16-12(9)15-10/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:
JLNRFMZTWSMRFG-UHFFFAOYSA-N
SMILES:
C1CCN=C(NC1)c1ccc2c(n1)scc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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