3-(1,2-oxazinan-2-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]propan-1-one

• ChemBase ID: 820706
• Molecular Formular: C14H22N6O2
• Molecular Mass: 306.36348
• Monoisotopic Mass: 306.18042397
• SMILES: c1(N2CCN(C(=O)CCN3OCCCC3)CC2)ncncn1
• Canonical SMILES: O=C(N1CCN(CC1)c1ncncn1)CCN1CCCCO1
• InChI: InChI=1S/C14H22N6O2/c21-13(3-5-20-4-1-2-10-22-20)18-6-8-19(9-7-18)14-16-11-15-12-17-14/h11-12H,1-10H2
• InChIKey: FDUGCEBGUOMVPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazinan-2-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]propan-1-one
• IUPAC Traditional name: 3-(1,2-oxazinan-2-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]propan-1-one
• Synonyms: 2-{4-[3-(1,2-oxazinan-2-yl)propanoyl]piperazin-1-yl}-1,3,5-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.13708386
• LogD (pH = 7.4): -0.13606349
• Log P: -0.13605046
• Molar Refractivity: 83.8391 cm^3
• Polarizability: 31.07855 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.01
• LOG S: -1.88
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 4