Products for Research Use Only

NRX-103095

CAT: 0607-BA9146-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA9146-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2763260-38-2
Form
A solid
Molecular Formula
C22H16Cl2F3N3O3S
Molecular Weight
530.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 162641002
CAS Number2763260-38-2
PubChem CID162641002
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-N-[3-(dimethylcarbamoyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
Molecular FormulaC22H16Cl2F3N3O3S
Molecular Weight530.3
XLogP4.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity884
SMILES
CN(C)C(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)SC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C22H16Cl2F3N3O3S/c1-30(2)21(33)11-5-3-6-12(9-11)28-19(31)17-15(10-16(22(25,26)27)29-20(17)32)34-18-13(23)7-4-8-14(18)24/h3-10H,1-2H3,(H,28,31)(H,29,32)
InChIKey
BGEHEUAOZPAMKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 162641002
CAS: 2763260-38-2
CID: 162641002
Formula: C22H16Cl2F3N3O3S
MW: 530.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight530.3
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass529.0241524
Monoisotopic Mass529.0241524
Topological Polar Surface Area104 Ų
Heavy Atom Count34
Formal Charge0
Complexity884
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes