N'-(2-bromo-3-phenylprop-2-en-1-ylidene)-3-(4-hydroxyphenyl)propanehydrazide

• ChemBase ID: 80930
• Molecular Formular: C18H17BrN2O2
• Molecular Mass: 373.24378
• Monoisotopic Mass: 372.04733979
• SMILES: N(=C\C(=C\c1ccccc1)\Br)/NC(=O)CCc1ccc(cc1)O
• Canonical SMILES: O=C(CCc1ccc(cc1)O)N/N=C/C(=C/c1ccccc1)/Br
• InChI: InChI=1S/C18H17BrN2O2/c19-16(12-15-4-2-1-3-5-15)13-20-21-18(23)11-8-14-6-9-17(22)10-7-14/h1-7,9-10,12-13,22H,8,11H2,(H,21,23)
• InChIKey: SLHAGSHBWWCKSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-bromo-3-phenylprop-2-en-1-ylidene)-3-(4-hydroxyphenyl)propanehydrazide
• IUPAC Traditional name: N'-(2-bromo-3-phenylprop-2-en-1-ylidene)-3-(4-hydroxyphenyl)propanehydrazide
• Synonyms: N'-(2-bromo-3-phenylprop-2-enylidene)-3-(4-hydroxyphenyl)propanohydrazide

Database IDs

• MDL Number: MFCD01569953
• PubChem SID: 162068049
• PubChem CID: 9582131

CALCULATED PROPERTIES

• Acid pKa: 9.503212
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.9296324
• LogD (pH = 7.4): 3.926296
• Log P: 3.9296856
• Molar Refractivity: 95.9706 cm^3
• Polarizability: 35.97839 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true