4,6-dichloro-N-(4-cyclohexylphenyl)-N-(dichloro-1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine

• ChemBase ID: 78901
• Molecular Formular: C18H15Cl4N7
• Molecular Mass: 471.1706
• Monoisotopic Mass: 469.01430424
• SMILES: N(c1nc(nc(n1)Cl)Cl)(c1nc(nc(n1)Cl)Cl)c1ccc(cc1)C1CCCCC1
• Canonical SMILES: Clc1nc(nc(n1)Cl)N(c1nc(Cl)nc(n1)Cl)c1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C18H15Cl4N7/c19-13-23-14(20)26-17(25-13)29(18-27-15(21)24-16(22)28-18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
• InChIKey: DNNXOIUQVUXXFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-N-(4-cyclohexylphenyl)-N-(dichloro-1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4,6-dichloro-N-(4-cyclohexylphenyl)-N-(dichloro-1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
• Synonyms: N2-(4-cyclohexylphenyl)-N2-(4,6-dichloro-1,3,5-triazin-2-yl)-4,6-dichloro-1,3,5-triazin-2-amine

Database IDs

• MDL Number: MFCD00116733
• PubChem SID: 162043664
• PubChem CID: 2774415

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 8.166541
• LogD (pH = 7.4): 8.166541
• Log P: 8.166541
• Molar Refractivity: 120.2237 cm^3
• Polarizability: 43.72768 Å^3
• Polar Surface Area: 80.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false