TL;DR: 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide (CAS 956104-40-8) is a chemical compound with molecular formula C14H13Cl3N6O and molecular weight 386.02164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide
Also Known As: 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide, Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-
| Molecular Formula | C14H13Cl3N6O |
| Molecular Weight | 386.02164 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.02164 Da |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
| SMILES | C=C(NCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=C(N=C(C(=N2)Cl)N)N |
| InChIKey | RHERTQVEKAWOCD-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide. Following Lipinski's Rule of Five, 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide is 956104-40-8.
The molecular formula of 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide is C14H13Cl3N6O.
The molecular weight of 3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide is 386.02164 g/mol.
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