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

• ChemBase ID: 753027
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)Cn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C19H26N6O2/c1-23(17-8-4-6-15-5-2-3-7-16(15)17)19(26)14-25-18(20-21-22-25)13-24-9-11-27-12-10-24/h2-3,5,7,17H,4,6,8-14H2,1H3
• InChIKey: REOIULWSNJBVTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.9654848
• LogD (pH = 7.4): 0.9802419
• Log P: 0.98043334
• Molar Refractivity: 114.9734 cm^3
• Polarizability: 38.99433 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.37
• LOG S: -0.55
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5