2,2,4-tris(morpholin-4-yl)-6-(trichloromethyl)-1,3,5,2$l^{5}-triazaphosphinine

• ChemBase ID: 80132
• Molecular Formular: C15H24Cl3N6O3P
• Molecular Mass: 473.722221
• Monoisotopic Mass: 472.07130833
• SMILES: P1(=NC(=NC(=N1)N1CCOCC1)C(Cl)(Cl)Cl)(N1CCOCC1)N1CCOCC1
• Canonical SMILES: ClC(C1=NC(=NP(=N1)(N1CCOCC1)N1CCOCC1)N1CCOCC1)(Cl)Cl
• InChI: InChI=1S/C15H24Cl3N6O3P/c16-15(17,18)13-19-14(22-1-7-25-8-2-22)21-28(20-13,23-3-9-26-10-4-23)24-5-11-27-12-6-24/h1-12H2
• InChIKey: DBSWYOHHUGBGTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4-tris(morpholin-4-yl)-6-(trichloromethyl)-1,3,5,2$l^{5}-triazaphosphinine
• IUPAC Traditional name: 2,2,4-tris(morpholin-4-yl)-6-(trichloromethyl)-1,3,5,2$l^{5}-triazaphosphinine
• Synonyms: 4-[2,4-dimorpholino-6-(trichloromethyl)-1,3,5,2lambda~5~-triazaphosphinin-2-yl]morpholine

Database IDs

• MDL Number: MFCD00519732
• PubChem SID: 162067252
• PubChem CID: 544554

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): -0.6135229
• LogD (pH = 7.4): -0.6132494
• Log P: -0.6132459
• Molar Refractivity: 110.8542 cm^3
• Polarizability: 42.918526 Å^3
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true