Spiro[oxetane-3,3'(4'H)-[2H]pyrido[1,2-a]pyrazine]-7'-carboxamide, N-[(2,4-difluorophenyl)methyl]-1',8'-dihydro-9'-hydroxy-2'-(2-methoxyethyl)-1',8'-dioxo-
Basic information
- CAS
1799952-37-6- Standard SMILES
COCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2CC12COC2- InChIKey
GSGTWJTYEFSHLM-UHFFFAOYSA-N- Molecular formula
- C21H21F2N3O6
- Average molar mass
- 449.4 g/mol
Names & identifiers
- Preferred name
- Spiro[oxetane-3,3'(4'H)-[2H]pyrido[1,2-a]pyrazine]-7'-carboxamide, N-[(2,4-difluorophenyl)methyl]-1',8'-dihydro-9'-hydroxy-2'-(2-methoxyethyl)-1',8'-dioxo-
- IUPAC
- N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxetane]-7-carboxamide
- English name
- Spiro{oxetane-3,3(4'H)-{2H}pyrido{1,2-a}pyrazine}-7'-carboxamide,N-{(2,4-difluorophenyl)methyl}-1'8'-dihydro-9'-hydroxy-2'-(2-methoxyethyl)-1'8'-dioxo
- Molecular formula
- C21H21F2N3O6
- Molecular weight
- 449.4
Names & synonyms
Spiro[oxetane-3,3'(4'H)-[2H]pyrido[1,2-a]pyrazine]-7'-carboxamide, N-[(2,4-difluorophenyl)methyl]-1',8'-dihydro-9'-hydroxy-2'-(2-methoxyethyl)-1',8'-dioxo-1799952-37-6N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxetane]-7-carboxamideSCHEMBL16846832N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-spiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxetane]-7-carboxamideSpiro{oxetane-3,3(4'H)-{2H}pyrido{1,2-a}pyrazine}-7'-carboxamide,N-{(2,4-difluorophenyl)methyl}-1'8'-dihydro-9'-hydroxy-2'-(2-methoxyethyl)-1'8'-dioxo
Database identifiers
- CAS
1799952-37-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 872
Physicochemical properties
- Boiling point
- 696.1 · 696.1±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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