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

• ChemBase ID: 429978
• Molecular Formular: C18H24N8O2
• Molecular Mass: 384.43556
• Monoisotopic Mass: 384.20222205
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCCCn1ncc2c1cccc2
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C18H24N8O2/c27-18(14-26-17(21-22-23-26)13-24-8-10-28-11-9-24)19-6-3-7-25-16-5-2-1-4-15(16)12-20-25/h1-2,4-5,12H,3,6-11,13-14H2,(H,19,27)
• InChIKey: HDAPEHMQJRRBPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063709
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.66305256
• LogD (pH = 7.4): -0.6482818
• Log P: -0.64809024
• Molar Refractivity: 127.4678 cm^3
• Polarizability: 40.425434 Å^3
• Polar Surface Area: 102.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 1
• Log P: 0.4
• LOG S: -2.04
• Polar Surface Area: 102.99 Å^2
• Rotatable Bonds: 8