N-(3,3-diphenylpropyl)-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide

• ChemBase ID: 374923
• Molecular Formular: C24H30N6O2
• Molecular Mass: 434.534
• Monoisotopic Mass: 434.24302423
• SMILES: c1(n(nnn1)CCC(=O)NCCC(c1ccccc1)c1ccccc1)CN1CCOCC1
• Canonical SMILES: O=C(CCn1nnnc1CN1CCOCC1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H30N6O2/c31-24(12-14-30-23(26-27-28-30)19-29-15-17-32-18-16-29)25-13-11-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,22H,11-19H2,(H,25,31)
• InChIKey: WIXZOXZQFZQSJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.622507
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1073873
• LogD (pH = 7.4): 2.1583402
• Log P: 2.15903
• Molar Refractivity: 136.5939 cm^3
• Polarizability: 47.532658 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.34
• LOG S: -3.44
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 10