N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 758400
• Molecular Formular: C16H16ClN5O2
• Molecular Mass: 345.78354
• Monoisotopic Mass: 345.09925246
• SMILES: c12n(nnn1)ccc(C(=O)N(Cc1c(Cl)cccc1)CCOC)c2
• Canonical SMILES: COCCN(C(=O)c1ccn2c(c1)nnn2)Cc1ccccc1Cl
• InChI: InChI=1S/C16H16ClN5O2/c1-24-9-8-21(11-13-4-2-3-5-14(13)17)16(23)12-6-7-22-15(10-12)18-19-20-22/h2-7,10H,8-9,11H2,1H3
• InChIKey: HQRLXYGBVGSCMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-(2-chlorobenzyl)-N-(2-methoxyethyl)tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3824673
• LogD (pH = 7.4): 2.3824673
• Log P: 2.3824673
• Molar Refractivity: 103.4835 cm^3
• Polarizability: 33.954567 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.93
• LOG S: -2.52
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 6