| Pubchem ID | 135352719 |
|---|---|
| CAS | 83046-90-6 |
| IUPAC name | 2-(dimethylamino)-5-[(E)-[(1,1-dioxo-1,2-benzothiazol-3-yl)methylhydrazinylidene]methyl]benzamide |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | CN(C)C1=C(C=C(C=C1)C=NNCC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)N |
| InCheykey | InChI=1S/C18H19N5O3S/c1-23(2)16-8-7-12(9-14(16)18(19)24)10-20-21-11-15-13-5-3-4-6-17(13)27(25,26)22-15/h3-10,21H,11H2,1-2H3,(H2,19,24)/b20-10+ |
| 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 |
|---|---|---|---|---|
| 385.442 | 2 | 7 | 6 | 126.0 |
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 | Undefined | 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 |