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91477-84-8 | 4-PHENYL-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
CAS No: 91477-84-8 Catalog No: AG00GYOF MDL No:MFCD07352240
Product Description
Catalog Number:
AG00GYOF
Chemical Name:
4-PHENYL-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
CAS Number:
91477-84-8
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
MDL Number:
MFCD07352240
IUPAC Name:
4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
InChI:
InChI=1S/C13H13NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-5,7,9,13-14H,6,8H2
InChI Key:
BKXOJOFWZSFANH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NCCc2c1ccs2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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