TL;DR: 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide (CAS 371951-76-7) is a chemical compound with molecular formula C28H21ClFNOS and molecular weight 473.10165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[(4-fluorophenyl)methyl]-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide
Also Known As: 2-chloro-N-[(4-fluorophenyl)methyl]-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide, 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide, N-(4-(9H-thioxanthen-9-yl)phenyl)-2-chloro-N-(4-fluorobenzyl)acetamide
| Molecular Formula | C28H21ClFNOS |
| Molecular Weight | 473.10165 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.10165 Da |
| Heavy Atoms | 33 |
| Complexity | 626.0 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)C4=CC=C(C=C4)N(CC5=CC=C(C=C5)F)C(=O)CCl |
| InChIKey | VEBRJONJYVEFTQ-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide is 371951-76-7.
The molecular formula of 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide is C28H21ClFNOS.
The molecular weight of 2-chloro-N-(4-fluorobenzyl)-N-[4-(9H-thioxanthen-9-yl)phenyl]acetamide is 473.10165 g/mol.
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