3-[4-(diphenylmethyl)piperazin-1-yl]-5-phenyl-1,2,4-triazine

• ChemBase ID: 380358
• Molecular Formular: C26H25N5
• Molecular Mass: 407.5102
• Monoisotopic Mass: 407.21099583
• SMILES: c1(nc(cnn1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)c1cnnc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H25N5/c1-4-10-21(11-5-1)24-20-27-29-26(28-24)31-18-16-30(17-19-31)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,25H,16-19H2
• InChIKey: GTECPPKWQMGZJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(diphenylmethyl)piperazin-1-yl]-5-phenyl-1,2,4-triazine
• IUPAC Traditional name: 3-[4-(diphenylmethyl)piperazin-1-yl]-5-phenyl-1,2,4-triazine
• Synonyms: 3-[4-(diphenylmethyl)-1-piperazinyl]-5-phenyl-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0442388
• LogD (pH = 7.4): 4.75543
• Log P: 5.245704
• Molar Refractivity: 126.6699 cm^3
• Polarizability: 49.037716 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.27
• LOG S: -5.08
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5