7-(cyclopropylmethyl)-2-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 705110
• Molecular Formular: C21H29FN2
• Molecular Mass: 328.4667632
• Monoisotopic Mass: 328.23147716
• SMILES: N1(CC2(CN(CC2)C/C=C/c2ccc(F)cc2)CCC1)CC1CC1
• Canonical SMILES: Fc1ccc(cc1)/C=C/CN1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C21H29FN2/c22-20-8-6-18(7-9-20)3-1-12-23-14-11-21(16-23)10-2-13-24(17-21)15-19-4-5-19/h1,3,6-9,19H,2,4-5,10-17H2/b3-1+
• InChIKey: XIZVMQSCBXHXHT-HNQUOIGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2835225
• LogD (pH = 7.4): 0.9335374
• Log P: 3.9956198
• Molar Refractivity: 99.8593 cm^3
• Polarizability: 38.313656 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.16
• LOG S: -3.54
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5