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120425-66-3 | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2,3-dimethyl-
CAS No: 120425-66-3 Catalog No: AG007Q1O MDL No:MFCD00208282
Product Description
Catalog Number:
AG007Q1O
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2,3-dimethyl-
CAS Number:
120425-66-3
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD00208282
IUPAC Name:
2,3-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C11H13NOS/c1-7-8(2)14-10-6-4-3-5-9(10)12-11(7)13/h3-8H,1-2H3,(H,12,13)
InChI Key:
GTUFEXDPRZPSSZ-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SC(C1C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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