N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]butanamide

• ChemBase ID: 663088
• Molecular Formular: C17H28N8O2
• Molecular Mass: 376.45662
• Monoisotopic Mass: 376.23352218
• SMILES: c1(n(nnn1)CCCC(=O)N(Cc1c(n(nc1)C)C)C)CN1CCOCC1
• Canonical SMILES: O=C(N(Cc1cnn(c1C)C)C)CCCn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C17H28N8O2/c1-14-15(11-18-23(14)3)12-22(2)17(26)5-4-6-25-16(19-20-21-25)13-24-7-9-27-10-8-24/h11H,4-10,12-13H2,1-3H3
• InChIKey: DGSINPSRSKDAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]butanamide
• IUPAC Traditional name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]butanamide
• Synonyms: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.9037615
• LogD (pH = 7.4): -0.8559094
• Log P: -0.85526425
• Molar Refractivity: 126.2991 cm^3
• Polarizability: 38.34063 Å^3
• Polar Surface Area: 94.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -1.18
• LOG S: -2.25
• Polar Surface Area: 94.2 Å^2
• Rotatable Bonds: 8