Products for Research Use Only
RegisterLogin

Vebicorvir

CAT: 0607-BA1819-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA1819-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2090064-66-5
Form
A solid
Molecular Formula
C19H12F3N3O4S2
Molecular Weight
467.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Vebicorvir
CAS Number2090064-66-5
PubChem CID139394142
IUPAC Name6,11,11-trioxo-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
Molecular FormulaC19H12F3N3O4S2
Molecular Weight467.4
XLogP2.4
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity817
SMILES
C1=CC=C2C(=C1)C(=O)NC3=C(S2(=O)=O)C=CC(=C3)C(=O)NCC4=CN=C(S4)C(F)(F)F
InChI
InChI=1S/C19H12F3N3O4S2/c20-19(21,22)18-24-9-11(30-18)8-23-16(26)10-5-6-15-13(7-10)25-17(27)12-3-1-2-4-14(12)31(15,28)29/h1-7,9H,8H2,(H,23,26)(H,25,27)
InChIKey
LBJVBJYMZKEREY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vebicorvir
CAS: 2090064-66-5
CID: 139394142
Formula: C19H12F3N3O4S2
MW: 467.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass467.02213271
Monoisotopic Mass467.02213271
Topological Polar Surface Area142 Ų
Heavy Atom Count31
Formal Charge0
Complexity817
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

Alternative Products

CatalogName
QID06466Vebicorvir

Popular Products