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89813-88-7 | 1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-
CAS No: 89813-88-7 Catalog No: AG003ZA7 MDL No:MFCD00115075
Product Description
Catalog Number:
AG003ZA7
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-
CAS Number:
89813-88-7
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD00115075
IUPAC Name:
2-(furan-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C13H11NO2S/c15-13-8-12(10-5-3-7-16-10)17-11-6-2-1-4-9(11)14-13/h1-7,12H,8H2,(H,14,15)
InChI Key:
MNZVCRXTLKYQGL-UHFFFAOYSA-N
SMILES:
O=C1CC(Sc2c(N1)cccc2)c1ccco1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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