TL;DR: N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide (CAS 107469-96-5) is a chemical compound with molecular formula C23H19ClN4O and molecular weight 402.12473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]acetamide
Also Known As: 12-Acetamidomethyl-8-chloro-6-phenyl-11H-dibenzo(b,g)(1,3,6)triazonine, N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide, Acetamide, N-((2-chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-, N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]acetamide
| Molecular Formula | C23H19ClN4O |
| Molecular Weight | 402.12473 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.12473 Da |
| Heavy Atoms | 29 |
| Complexity | 541.0 |
| SMILES | CC(=O)NCC1=NC2=CC=CC=C2NC(=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4 |
| InChIKey | DNBYVVZTMDVJFN-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide. Following Lipinski's Rule of Five, N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide is 107469-96-5.
The molecular formula of N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide is C23H19ClN4O.
The molecular weight of N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)acetamide is 402.12473 g/mol.
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