N-[3-(1H-indol-1-yl)propyl]-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 753055
• Molecular Formular: C19H25N7O2
• Molecular Mass: 383.4475
• Monoisotopic Mass: 383.20697308
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCCCn1ccc2c1cccc2
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C19H25N7O2/c27-19(15-26-18(21-22-23-26)14-24-10-12-28-13-11-24)20-7-3-8-25-9-6-16-4-1-2-5-17(16)25/h1-2,4-6,9H,3,7-8,10-15H2,(H,20,27)
• InChIKey: QYAKJICLISNNOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2750635
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.21266118
• LogD (pH = 7.4): 0.22741847
• Log P: 0.2276099
• Molar Refractivity: 118.2199 cm^3
• Polarizability: 41.301933 Å^3
• Polar Surface Area: 90.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.27
• LOG S: -2.52
• Polar Surface Area: 90.1 Å^2
• Rotatable Bonds: 8