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Chitinase-IN-2

CAS No.:
1579991-63-1
Catalog Number:
AG00ABNF
Molecular Formula:
C20H21N5O2S
Molecular Weight:
395.4780
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABNF
Chemical Name:
Chitinase-IN-2
CAS Number:
1579991-63-1
Molecular Formula:
C20H21N5O2S
Molecular Weight:
395.4780
MDL Number:
MFCD28385841
IUPAC Name:
6-(dimethylamino)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C20H21N5O2S/c1-12-22-23-17(28-12)11-21-9-10-25-19(26)14-6-4-5-13-16(24(2)3)8-7-15(18(13)14)20(25)27/h4-8,21H,9-11H2,1-3H3
InChI Key:
MZVBLDCRQKXSHR-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)CNCCn1c(=O)c2cccc3c2c(c1=O)ccc3N(C)C
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.142g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
395.481g/mol
Monoisotopic Mass:
395.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties