TL;DR: methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate (CAS 1008242-36-1) is a chemical compound with molecular formula C17H15Cl2N3O5 and molecular weight 411.03888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
Also Known As: methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate, methyl 6-((2,4-dichlorophenyl)carbamoyl)-1,8-dioxo-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrazine-9-carboxylate, methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate, methyl 6-[N-(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-5,6,7-trihydro-2H,3H,4H-p yridino[1,2-a]1,4-diazaperhydroine-9-carboxylate
| Molecular Formula | C17H15Cl2N3O5 |
| Molecular Weight | 411.03888 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.03888 Da |
| Heavy Atoms | 27 |
| Complexity | 711.0 |
| SMILES | COC(=O)C1=C2C(=O)NCCN2C(CC1=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | ZBRQFRZXAZZWBA-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate. Following Lipinski's Rule of Five, methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate has 2 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 methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate is 1008242-36-1.
The molecular formula of methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate is C17H15Cl2N3O5.
The molecular weight of methyl 6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate is 411.03888 g/mol.
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