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Home > Fluorides > 141944-00-5
141944-00-5 | 1,5-Benzothiazepin-4(5H)-one, 2-(4-fluorophenyl)-2,3-dihydro-
CAS No: 141944-00-5 Catalog No: AG001HFM MDL No:
Product Description
Catalog Number:
AG001HFM
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2-(4-fluorophenyl)-2,3-dihydro-
CAS Number:
141944-00-5
Molecular Formula:
C15H12FNOS
Molecular Weight:
273.3253
IUPAC Name:
2-(4-fluorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C15H12FNOS/c16-11-7-5-10(6-8-11)14-9-15(18)17-12-3-1-2-4-13(12)19-14/h1-8,14H,9H2,(H,17,18)
InChI Key:
FIZINKOICXKDAQ-UHFFFAOYSA-N
SMILES:
O=C1CC(Sc2c(N1)cccc2)c1ccc(cc1)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.325g/mol
Monoisotopic Mass:
273.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 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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