2,4-dimethoxy-6-{4-[1-(morpholin-4-yl)ethyl]phenyl}-1,3,5-triazine

• ChemBase ID: 602042
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: n1c(nc(nc1OC)OC)c1ccc(C(N2CCOCC2)C)cc1
• Canonical SMILES: COc1nc(OC)nc(n1)c1ccc(cc1)C(N1CCOCC1)C
• InChI: InChI=1S/C17H22N4O3/c1-12(21-8-10-24-11-9-21)13-4-6-14(7-5-13)15-18-16(22-2)20-17(19-15)23-3/h4-7,12H,8-11H2,1-3H3
• InChIKey: WDPFUWZRZXUDJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-{4-[1-(morpholin-4-yl)ethyl]phenyl}-1,3,5-triazine
• IUPAC Traditional name: 2,4-dimethoxy-6-{4-[1-(morpholin-4-yl)ethyl]phenyl}-1,3,5-triazine
• Synonyms: 2,4-dimethoxy-6-[4-(1-morpholin-4-ylethyl)phenyl]-1,3,5-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.2432605
• LogD (pH = 7.4): 2.8008463
• Log P: 3.0639417
• Molar Refractivity: 102.7871 cm^3
• Polarizability: 35.519413 Å^3
• Polar Surface Area: 69.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.87
• LOG S: -3.06
• Polar Surface Area: 69.6 Å^2
• Rotatable Bonds: 5