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Chitinase-IN-1

CAS No.:
1579991-61-9
Catalog Number:
AG00ABNE
Molecular Formula:
C18H16N4O2S
Molecular Weight:
352.4102
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABNE
Chemical Name:
Chitinase-IN-1
CAS Number:
1579991-61-9
Molecular Formula:
C18H16N4O2S
Molecular Weight:
352.4102
MDL Number:
MFCD28385840
IUPAC Name:
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C18H16N4O2S/c1-11-20-21-15(25-11)10-19-8-9-22-17(23)13-6-2-4-12-5-3-7-14(16(12)13)18(22)24/h2-7,19H,8-10H2,1H3
InChI Key:
YHPDOCZSFWEMOD-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)CNCCn1c(=O)c2cccc3c2c(c1=O)ccc3
Properties
Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.099g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.412g/mol
Monoisotopic Mass:
352.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties