TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl- (CAS 116989-72-1) is a chemical compound with molecular formula C23H15ClN6S and molecular weight 442.07675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl-, 3H-1,2,4-Triazole-3-thione,5-[(9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-2,4-dihydro-4-phenyl-, 3-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-[(9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H15ClN6S |
| Molecular Weight | 442.07675 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.07675 Da |
| Heavy Atoms | 31 |
| Complexity | 727.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Cl)C5=NC6=CC=CC=C6N=C53 |
| InChIKey | AJOZQCOZKJGCSZ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-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 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl- is 116989-72-1.
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl- is C23H15ClN6S.
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl- is 442.07675 g/mol.
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