Home Other Building Blocks VT-464 racemate

VT-464 racemate

CAS No.:
1375603-36-3
Catalog Number:
AG0013K9
Molecular Formula:
C18H17F4N3O3
Molecular Weight:
399.3395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG0013K9
Chemical Name:
VT-464 racemate
CAS Number:
1375603-36-3
Molecular Formula:
C18H17F4N3O3
Molecular Weight:
399.3395
MDL Number:
MFCD30478855
IUPAC Name:
1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
InChI:
InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)
InChI Key:
ZBRAJOQFSNYJMF-UHFFFAOYSA-N
SMILES:
FC(Oc1cc2cc(ccc2cc1OC(F)F)C(c1[nH]nnc1)(C(C)C)O)F
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.121g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
399.346g/mol
Monoisotopic Mass:
399.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties