Home Other Building Blocks Bet-bay 002

Bet-bay 002

CAS No.:
1588521-78-1
Catalog Number:
AG00ABN4
Molecular Formula:
C22H18ClN5O
Molecular Weight:
403.8642
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:
AG00ABN4
Chemical Name:
Bet-bay 002
CAS Number:
1588521-78-1
Molecular Formula:
C22H18ClN5O
Molecular Weight:
403.8642
MDL Number:
MFCD28385843
IUPAC Name:
2-[[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]methyl]-5-methyl-1,3,4-oxadiazole
InChI:
InChI=1S/C22H18ClN5O/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChI Key:
AGYIAWHWIUZNSD-INIZCTEOSA-N
SMILES:
Clc1ccc(cc1)C1=C[C@@H](Cc2nnc(o2)C)c2n(c3c1cccc3)c(nn2)C
Properties
Complexity:
610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
403.12g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.87g/mol
Monoisotopic Mass:
403.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties