7-({2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 696261
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: c1(c(c(OC)ccc1)OCCn1cncc1)CN1CC2(COCC2)CCC1
• Canonical SMILES: COc1cccc(c1OCCn1cncc1)CN1CCCC2(C1)COCC2
• InChI: InChI=1S/C21H29N3O3/c1-25-19-5-2-4-18(20(19)27-13-11-23-10-8-22-17-23)14-24-9-3-6-21(15-24)7-12-26-16-21/h2,4-5,8,10,17H,3,6-7,9,11-16H2,1H3
• InChIKey: TZCCABRZZWQQFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-({2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-({2-[2-(imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-{2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxybenzyl}-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Log P: 1.9883893
• Molar Refractivity: 105.2736 cm^3
• Polarizability: 40.86671 Å^3
• Polar Surface Area: 48.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3316526
• LogD (pH = 7.4): 0.89808977

供应商提供(Chembridge)

• Log P: 2.4
• LOG S: -3.47
• Polar Surface Area: 48.75 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0