N-[(4-methoxyphenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
Basic information
- CAS
338962-16-6- Standard SMILES
COc1ccc(C=NNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1- InChIKey
NPFUFHOHHODNSC-UHFFFAOYSA-N- Molecular formula
- C18H12F6N4O
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- N-[(4-methoxyphenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
- IUPAC
- N-[(4-methoxyphenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
- English name
- Benzaldehyde, 4-methoxy-, [5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]hydrazone (9CI)
- Molecular formula
- C18H12F6N4O
- Molecular weight
- 414.31
Names & synonyms
Benzaldehyde, 4-methoxy-, [5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]hydrazone (9CI)
Database identifiers
- CAS
338962-16-6
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Boiling point
- 456.643 · 456.643±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.432 · 1.432±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.95 · 8.950±0.30(predicted)
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