N-cyclopentyl-2-{5-[morpholin-4-yl(phenyl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetamide

• ChemBase ID: 322283
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c1(n(nnn1)CC(=O)NC1CCCC1)C(N1CCOCC1)c1ccccc1
• Canonical SMILES: O=C(Cn1nnnc1C(c1ccccc1)N1CCOCC1)NC1CCCC1
• InChI: InChI=1S/C19H26N6O2/c26-17(20-16-8-4-5-9-16)14-25-19(21-22-23-25)18(15-6-2-1-3-7-15)24-10-12-27-13-11-24/h1-3,6-7,16,18H,4-5,8-14H2,(H,20,26)
• InChIKey: ZAELLNUIZCBHRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{5-[morpholin-4-yl(phenyl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetamide
• IUPAC Traditional name: N-cyclopentyl-2-{5-[morpholin-4-yl(phenyl)methyl]-1,2,3,4-tetrazol-1-yl}acetamide
• Synonyms: N-cyclopentyl-2-{5-[4-morpholinyl(phenyl)methyl]-1H-tetrazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0523405
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3149346
• LogD (pH = 7.4): 1.3343691
• Log P: 1.3346225
• Molar Refractivity: 114.0534 cm^3
• Polarizability: 39.0692 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.37
• LOG S: -3.07
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 6