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Mac13243

CAS No.:
1071638-38-4
Catalog Number:
AG008THN
Molecular Formula:
C20H25Cl2N3O2S
Molecular Weight:
442.4024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$571
- +
10mg
98%
1 week
United States
$823
- +
50mg
98%
1 week
United States
$1771
- +
100mg
98%
1 week
United States
$2798
- +
Product Description
Catalog Number:
AG008THN
Chemical Name:
Mac13243
CAS Number:
1071638-38-4
Molecular Formula:
C20H25Cl2N3O2S
Molecular Weight:
442.4024
MDL Number:
MFCD18782745
IUPAC Name:
6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
InChI:
InChI=1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H
InChI Key:
VCJIDISBDZWDOJ-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2CNC(=NC2)SCc2ccc(cc2)Cl)ccc1OC.Cl
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.104g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
442.399g/mol
Monoisotopic Mass:
441.104g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties