TL;DR: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide (CAS 1022579-52-7) is a chemical compound with molecular formula C24H18BrF3N2OS and molecular weight 518.0275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide
Also Known As: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide, F0582-0633, N-(2-{[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl}ethyl)-3-(trifluoromethyl)benzamide, N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)-3-(trifluoromethyl)benzamide
| Molecular Formula | C24H18BrF3N2OS |
| Molecular Weight | 518.0275 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.0275 Da |
| Heavy Atoms | 32 |
| Complexity | 629.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Br)SCCNC(=O)C4=CC(=CC=C4)C(F)(F)F |
| InChIKey | XSCZTPBHQUDEGD-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide. Following Lipinski's Rule of Five, N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide is 1022579-52-7.
The molecular formula of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide is C24H18BrF3N2OS.
The molecular weight of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide is 518.0275 g/mol.
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