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Home Carbonyls 3-(Morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-ylamine

3-(Morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-ylamine

CAS No.:
554405-87-7
Catalog Number:
AG00DCWR
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00DCWR
Chemical Name:
3-(Morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-ylamine
CAS Number:
554405-87-7
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
MDL Number:
MFCD00782120
IUPAC Name:
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-morpholin-4-ylmethanone
InChI:
InChI=1S/C13H18N2O2S/c14-12-11(9-3-1-2-4-10(9)18-12)13(16)15-5-7-17-8-6-15/h1-8,14H2
InChI Key:
HFOCBGXBEVGCMW-UHFFFAOYSA-N
SMILES:
O=C(c1c(N)sc2c1CCCC2)N1CCOCC1
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties