N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 698405
• Molecular Formular: C17H17N5O3
• Molecular Mass: 339.34858
• Monoisotopic Mass: 339.13313943
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCC1Cc2c(OC1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)OCC(C2)CNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C17H17N5O3/c1-24-14-3-2-12-6-11(10-25-15(12)8-14)9-18-17(23)13-4-5-22-16(7-13)19-20-21-22/h2-5,7-8,11H,6,9-10H2,1H3,(H,18,23)
• InChIKey: GUEDQAWZBTUMMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.459273
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5080372
• LogD (pH = 7.4): 1.5080371
• Log P: 1.5080374
• Molar Refractivity: 103.0611 cm^3
• Polarizability: 33.8506 Å^3
• Polar Surface Area: 90.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.1
• LOG S: -2.61
• Polar Surface Area: 90.64 Å^2
• Rotatable Bonds: 4