TL;DR: 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide (CAS 1022112-23-7) is a chemical compound with molecular formula C34H41Cl2N3O4S and molecular weight 657.2195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methylpyrrole-3-carboxamide
Also Known As: 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide, 5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methylpyrrole-3-carboxamide
| Molecular Formula | C34H41Cl2N3O4S |
| Molecular Weight | 657.2195 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 657.2195 Da |
| Heavy Atoms | 44 |
| Complexity | 851.0 |
| SMILES | CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)COC3=CC(=CC(=C3)Cl)Cl)CCC4=CC(=C(C=C4)OC)OC)C |
| InChIKey | SNCQGHAAFDEHNS-UHFFFAOYSA-N |
The XLogP value of 8.8 indicates that 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide. Following Lipinski's Rule of Five, 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide is 1022112-23-7.
The molecular formula of 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide is C34H41Cl2N3O4S.
The molecular weight of 5-[2-[(3,5-Dichlorophenoxy)methyl]-4-thiazolyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylhexyl)-2-methyl-1H-pyrrole-3-carboxamide is 657.2195 g/mol.
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