| Pubchem ID | 17397522 |
|---|---|
| CAS | 8023-77-6 |
| IUPAC name | 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide |
| Synonyms | - |
| Categories | Color |
| SMILES | CC1=NC2=C(C=CS2)C(=O)N1NC(=O)C3=CC4=C(O3)C=CC(=C4)Cl |
| InCheykey | InChI=1S/C16H10ClN3O3S/c1-8-18-15-11(4-5-24-15)16(22)20(8)19-14(21)13-7-9-6-10(17)2-3-12(9)23-13/h2-7H,1H3,(H,19,21) |
| 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 |
|---|---|---|---|---|
| 359.784 | 1 | 5 | 1 | 103.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |