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Home > Imidazoles > 68857-67-0
68857-67-0 | 4,5-DIHYDRO-1H,3H-[1,4]OXAZEPINO[4,3-A]BENZIMIDAZOL-4-OL
CAS No: 68857-67-0 Catalog No: AG00FE6M MDL No:MFCD02578610
Product Description
Catalog Number:
AG00FE6M
Chemical Name:
4,5-DIHYDRO-1H,3H-[1,4]OXAZEPINO[4,3-A]BENZIMIDAZOL-4-OL
CAS Number:
68857-67-0
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD02578610
IUPAC Name:
1,3,4,5-tetrahydro-[1,4]oxazepino[4,3-a]benzimidazol-4-ol
InChI:
InChI=1S/C11H12N2O2/c14-8-5-13-10-4-2-1-3-9(10)12-11(13)7-15-6-8/h1-4,8,14H,5-7H2
InChI Key:
XRPGEEYBQKPKSC-UHFFFAOYSA-N
SMILES:
OC1COCc2n(C1)c1ccccc1n2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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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