sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Sw044248

Sw044248

CAS No.:
522650-83-5
Catalog Number:
AG00DB9H
Molecular Formula:
C22H23N5O2S
Molecular Weight:
421.5153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$161
- +
10mg
99%
1 week
United States
$237
- +
50mg
99%
1 week
United States
$696
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG00DB9H
Chemical Name:
Sw044248
CAS Number:
522650-83-5
Molecular Formula:
C22H23N5O2S
Molecular Weight:
421.5153
MDL Number:
MFCD03487851
IUPAC Name:
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
InChI:
InChI=1S/C22H23N5O2S/c1-4-18(21(28)23-15-11-7-9-13-17(15)29-3)30-22-24-20-19(25-26-22)14-10-6-8-12-16(14)27(20)5-2/h6-13,18H,4-5H2,1-3H3,(H,23,28)
InChI Key:
PEVRGVRHMMZNGI-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1ccccc1OC)Sc1nnc2c(n1)n(CC)c1c2cccc1
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.157g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
421.519g/mol
Monoisotopic Mass:
421.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
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
Properties