5-(2,6-dimethoxyphenyl)-3-(3-propoxypiperidin-1-yl)-1,2,4-triazine

• ChemBase ID: 603597
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: c1(nc(c2c(OC)cccc2OC)cnn1)N1CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)c1nncc(n1)c1c(OC)cccc1OC
• InChI: InChI=1S/C19H26N4O3/c1-4-11-26-14-7-6-10-23(13-14)19-21-15(12-20-22-19)18-16(24-2)8-5-9-17(18)25-3/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3
• InChIKey: NTZARZHFAQRIMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-dimethoxyphenyl)-3-(3-propoxypiperidin-1-yl)-1,2,4-triazine
• IUPAC Traditional name: 5-(2,6-dimethoxyphenyl)-3-(3-propoxypiperidin-1-yl)-1,2,4-triazine
• Synonyms: 5-(2,6-dimethoxyphenyl)-3-(3-propoxy-1-piperidinyl)-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.872434
• LogD (pH = 7.4): 2.8724477
• Log P: 2.872448
• Molar Refractivity: 102.1781 cm^3
• Polarizability: 39.4871 Å^3
• Polar Surface Area: 69.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 7

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.35
• LOG S: -4.12
• Polar Surface Area: 69.6 Å^2
• Rotatable Bonds: 3
• H Acceptors: 6