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LTV-1

CAS No.:
347379-29-7
Catalog Number:
AG00C6J9
Molecular Formula:
C26H20N2O5S
Molecular Weight:
472.5124
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:
AG00C6J9
Chemical Name:
LTV-1
CAS Number:
347379-29-7
Molecular Formula:
C26H20N2O5S
Molecular Weight:
472.5124
MDL Number:
MFCD02219012
IUPAC Name:
3-[[4-[[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
InChI:
InChI=1S/C26H20N2O5S/c1-16-5-2-3-8-22(16)28-24(30)21(23(29)27-26(28)34)14-17-9-11-20(12-10-17)33-15-18-6-4-7-19(13-18)25(31)32/h2-14H,15H2,1H3,(H,31,32)(H,27,29,34)
InChI Key:
DSYDHTCEVHUCPE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1C
Properties
Complexity:
835  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.109g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
472.515g/mol
Monoisotopic Mass:
472.109g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.7  
Properties