N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropyl-4-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 393123
• Molecular Formular: C24H24ClN3O3
• Molecular Mass: 437.91866
• Monoisotopic Mass: 437.15061932
• SMILES: N(C(=O)c1ccc(n2nccc2)cc1)(C1CC1)Cc1cc(OCC(=C)Cl)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OCC(=C)Cl)CN(C(=O)c1ccc(cc1)n1cccn1)C1CC1
• InChI: InChI=1S/C24H24ClN3O3/c1-17(25)16-31-23-14-18(4-11-22(23)30-2)15-27(20-9-10-20)24(29)19-5-7-21(8-6-19)28-13-3-12-26-28/h3-8,11-14,20H,1,9-10,15-16H2,2H3
• InChIKey: XHPQSOSHSXZMGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropyl-4-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropyl-4-(pyrazol-1-yl)benzamide
• Synonyms: N-{3-[(2-chloro-2-propen-1-yl)oxy]-4-methoxybenzyl}-N-cyclopropyl-4-(1H-pyrazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1997075
• LogD (pH = 7.4): 4.1997643
• Log P: 4.1997647
• Molar Refractivity: 121.9206 cm^3
• Polarizability: 46.771713 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.71
• LOG S: -6.12
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 8