TL;DR: 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate (CAS 129323-58-6) is a chemical compound with molecular formula C37H38N4O7 and molecular weight 650.27405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide;oxalic acid
Also Known As: 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate, Benzamide, 2-(3-(4-(diphenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-N-1H-indol-4-yl)-, ethanedioate (1:1) (salt), 2-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide; oxalic acid, Oxalic acid--2-{3-[4-(diphenylmethyl)piperazin-1-yl]-2-hydroxypropoxy}-N-(1H-indol-4-yl)benzene-1-carboximidic acid (1/1)
| Molecular Formula | C37H38N4O7 |
| Molecular Weight | 650.27405 g/mol |
| XLogP | 4.7227 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 650.27405 Da |
| Heavy Atoms | 48 |
| Complexity | 877.0 |
| SMILES | C1CN(CCN1CC(COC2=CC=CC=C2C(=O)NC3=CC=CC4=C3C=CN4)O)C(C5=CC=CC=C5)C6=CC=CC=C6.C(=O)(C(=O)O)O |
| InChIKey | GPFZTJYNBOMKSU-UHFFFAOYSA-N |
The XLogP value of 4.7227 indicates that 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate is 129323-58-6.
The molecular formula of 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate is C37H38N4O7.
The molecular weight of 2-(2-Hydroxy-3-(4-(diphenylmethyl)-1-piperazinyl)propoxy)-N-(1H-indol-4-yl)benzamide oxalate is 650.27405 g/mol.
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