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140867-42-1 | Acetamide, N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)-
CAS No: 140867-42-1 Catalog No: AG001CY2 MDL No:
Product Description
Catalog Number:
AG001CY2
Chemical Name:
Acetamide, N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)-
CAS Number:
140867-42-1
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)acetamide
InChI:
InChI=1S/C13H16N2OS/c1-11(16)15(12-7-3-2-4-8-12)13-14-9-5-6-10-17-13/h2-4,7-8H,5-6,9-10H2,1H3
InChI Key:
YBCVABBBEWBSFN-UHFFFAOYSA-N
SMILES:
CC(=O)N(C1=NCCCCS1)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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