| Pubchem ID | 135310236 |
|---|---|
| CAS | 84649-86-5 |
| IUPAC name | N-(2-cyanopyridin-3-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | COC1=CC=CC2=C1CCC2C(=O)NS(=O)(=O)C3=C(N=CC=C3)C#N |
| InCheykey | InChI=1S/C17H15N3O4S/c1-24-15-5-2-4-11-12(15)7-8-13(11)17(21)20-25(22,23)16-6-3-9-19-14(16)10-18/h2-6,9,13H,7-8H2,1H3,(H,20,21) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 357.384 | 1 | 6 | 4 | 118.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |