N'-(3,5-dimethylbenzoyl)-5-methyl-N'-[2-(2H3)methyl(2H6)propan-2-yl]-3,4-dihydro-2H-1-benzopyran-6-carbohydrazide

• ChemBase ID: 164749
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: c1(cc(cc(c1)C(=O)N(NC(=O)c1c(c2c(cc1)OCCC2)C)C(C)(C)C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2
• InChI: InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
• InChIKey: HPNSNYBUADCFDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(3,5-dimethylbenzoyl)-5-methyl-N'-[2-(^2H₃)methyl(^2H₆)propan-2-yl]-3,4-dihydro-2H-1-benzopyran-6-carbohydrazide
• IUPAC Traditional name: N'-(3,5-dimethylbenzoyl)-5-methyl-N'-[2-(^2H₃)methyl(^2H₆)propan-2-yl]-3,4-dihydro-2H-1-benzopyran-6-carbohydrazide
• Synonyms: 3,4-Dihydro-5-methyl-2H-1-benzopyran-6-carboxylic Acid 2-(3,5-Dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide-d9; ANS 118-d9; Matric-d9; Chromafenozide-d9

Database IDs

• PubChem SID: 162258884
• PubChem CID: 71314862

CALCULATED PROPERTIES

• Acid pKa: 14.384727
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.233297
• LogD (pH = 7.4): 5.233297
• Log P: 5.233297
• Molar Refractivity: 116.8725 cm^3
• Polarizability: 43.63676 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - C432712

Labelled chromafenozide, a diacylhydrazine based lepidopteran insect control agent. Chromafenozide is a non-steroidal ecdysteroid agonist. Chromafenozide functions as a insect growth regulator that disrupts hormonal regulation of insect's molting process

REFERENCES

• Yanagi, M.: Agrochem. Jap., 76, 16 (2000)
• Yanagi, M. et al.: J. Pest. Sci., 31, 163 (2000)
• Mosallanejad, H. et al.: Pest. Biochem. Physiol., 92, 70 (2000)