N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 341533
• Molecular Formular: C18H26N6O3
• Molecular Mass: 374.43744
• Monoisotopic Mass: 374.20663872
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)N(C(c1ccc(cc1)OC)C)C
• Canonical SMILES: COc1ccc(cc1)C(N(C(=O)Cn1nnnc1CN1CCOCC1)C)C
• InChI: InChI=1S/C18H26N6O3/c1-14(15-4-6-16(26-3)7-5-15)22(2)18(25)13-24-17(19-20-21-24)12-23-8-10-27-11-9-23/h4-7,14H,8-13H2,1-3H3
• InChIKey: ZKOYMCBHQLVCTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 8
• H Donor: 0
• Log P: 0.63
• LOG S: 0.43
• Polar Surface Area: 85.61 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.23559567
• LogD (pH = 7.4): 0.25035274
• Log P: 0.25054416
• Molar Refractivity: 113.6736 cm^3
• Polarizability: 38.656494 Å^3
• Polar Surface Area: 85.61 Å^2
• Rotatable Bonds: 7