| Pubchem ID | 135288978 |
|---|---|
| CAS | 9049-05-2 |
| IUPAC name | 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-3-[1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrimidin-4-one |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | C1CN(CCC1C2=CC=C(C=C2)Cl)C(=O)C(CC3=CC=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl |
| InCheykey | InChI=1S/C32H27Cl3N6O2/c33-24-8-6-22(7-9-24)23-12-14-39(15-13-23)32(43)29(16-21-4-2-1-3-5-21)40-20-36-27(18-31(40)42)26-17-25(34)10-11-28(26)41-19-30(35)37-38-41/h1-11,17-20,23,29H,12-16H2 |
| 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 |
|---|---|---|---|---|
| 633.958 | 0 | 5 | 7 | 83.7 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Very Low Solubility | Binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |