TL;DR: 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide (CAS 1025708-76-2) is a chemical compound with molecular formula C21H24N4O5 and molecular weight 412.17468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
Also Known As: 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide, N'-{[2,5-Dimethoxy-4-(pyrrolidin-1-yl)phenyl]methylidene}-2-(2-nitrophenyl)acetohydrazide, N-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(2-nitrophenyl)acetamide, N-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
| Molecular Formula | C21H24N4O5 |
| Molecular Weight | 412.17468 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.17468 Da |
| Heavy Atoms | 30 |
| Complexity | 605.0 |
| SMILES | COC1=CC(=C(C=C1C=NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])OC)N3CCCC3 |
| InChIKey | LWXPPTVJJVSNMB-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide. Following Lipinski's Rule of Five, 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide is 1025708-76-2.
The molecular formula of 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide is C21H24N4O5.
The molecular weight of 2-Nitrobenzeneacetic acid 2-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide is 412.17468 g/mol.
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