TL;DR: 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl- (CAS 116989-68-5) is a chemical compound with molecular formula C23H16N6S and molecular weight 408.11572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(indolo[3,2-b]quinoxalin-6-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 9H-Purin-6-amine,8-ethyl-9-methyl, 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl-, N(sup 6)-((4-Phenyl-5-mercapto-1,2,4-triazole-3-yl)methylene)indophenazine, 5-((6H-Indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl-1H-1,3,4-triazole-2-thiol, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(6H-indolo(2,3-b)quinoxalin-6-ylmethyl)-4-phenyl-
| Molecular Formula | C23H16N6S |
| Molecular Weight | 408.11572 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.11572 Da |
| Heavy Atoms | 30 |
| Complexity | 691.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4C5=NC6=CC=CC=C6N=C53 |
| InChIKey | KZZCZDBYWVKXJB-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl-. Following Lipinski's Rule of Five, 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl- is 116989-68-5.
The molecular formula of 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl- is C23H16N6S.
The molecular weight of 1H-1,3,4-Triazole-2-thiol, 5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl- is 408.11572 g/mol.
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