Basic information
- CAS
33345-97-0- Standard SMILES
O=C1OCCN1N=Cc1c(N2CCCCCC2)nc2ccccn2c1=O- InChIKey
FRKGTQMKDGCKBB-UHFFFAOYSA-N- Molecular formula
- C18H21N5O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.16443955
Names & identifiers
- Preferred name
- 3-[[2-(Azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-1,3-oxazolidin-2-one
- IUPAC
- 3-[[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-1,3-oxazolidin-2-one
- English name
- 2-(Hexahydro-1H-azepin-1-yl)-3-[(2-oxooxazolidin-3-yl)iminomethyl]-4H-pyrido[1,2-a]pyrimidin-4-one
- Molecular weight
- 341.37
Names & synonyms
33345-97-0DTXSID609549742-(Azepan-1-yl)-3-{[(2-oxo-1,3-oxazolidin-3-yl)imino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one2-(Hexahydro-1H-azepin-1-yl)-3-[(2-oxooxazolidin-3-yl)iminomethyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- CAS
33345-97-0- PubChem CID
- 215731
- DTXSID
DTXSID60954974
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 469.702 · 469.702±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.452 · 1.452±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.829 · 7.829±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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