{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl){[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl](phenyl)methyl}amine

• ChemBase ID: 604472
• Molecular Formular: C23H27N7O
• Molecular Mass: 417.50678
• Monoisotopic Mass: 417.22770852
• SMILES: c1(n(nnn1)c1c(C)cccc1)C(N(Cc1n(ccn1)CCOC)C)c1ccccc1
• Canonical SMILES: COCCn1ccnc1CN(C(c1nnnn1c1ccccc1C)c1ccccc1)C
• InChI: InChI=1S/C23H27N7O/c1-18-9-7-8-12-20(18)30-23(25-26-27-30)22(19-10-5-4-6-11-19)28(2)17-21-24-13-14-29(21)15-16-31-3/h4-14,22H,15-17H2,1-3H3
• InChIKey: MXMZLAREFJRHAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl){[1-(2-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl](phenyl)methyl}amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)imidazol-2-yl]methyl}(methyl){[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl](phenyl)methyl}amine
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methyl-1-[1-(2-methylphenyl)-1H-tetrazol-5-yl]-1-phenylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.7899244
• LogD (pH = 7.4): 3.3141613
• Log P: 3.3309543
• Molar Refractivity: 123.0963 cm^3
• Polarizability: 46.60628 Å^3
• Polar Surface Area: 73.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.56
• LOG S: -2.57
• Polar Surface Area: 73.89 Å^2
• Rotatable Bonds: 9