1-(2-((4-Butoxyphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate
Basic information
- CAS
881454-56-4- Standard SMILES
CCCCOc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1- InChIKey
BLQIPCLNGPOGRX-UZWMFBFFSA-N- Molecular formula
- C31H30N2O5
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.21547206
Names & identifiers
- Preferred name
- 1-(2-((4-Butoxyphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate
- IUPAC
- [1-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
- English name
- 1-(2-((4-Butoxyphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate
- Molecular formula
- C31H30N2O5
- Molecular weight
- 510.58
Names & synonyms
AKOS0244107511-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATEBenzoic acid, 3-methyl-, 1-[[2-[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
881454-56-4- PubChem CID
- 9606529
- EC Number
- 129-414-0
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 765
Physicochemical properties
- Density
- 1.164 · 1.164±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.377 · 11.377±0.46(predicted)
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Compound notes
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