3-{2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]ethyl}-1,3-oxazinan-2-one

• ChemBase ID: 315235
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(c2n(ccn2)CCN2C(=O)OCCC2)cc2c(cc1OC)CCC2
• Canonical SMILES: COc1cc2CCCc2cc1c1nccn1CCN1CCCOC1=O
• InChI: InChI=1S/C19H23N3O3/c1-24-17-13-15-5-2-4-14(15)12-16(17)18-20-6-8-21(18)9-10-22-7-3-11-25-19(22)23/h6,8,12-13H,2-5,7,9-11H2,1H3
• InChIKey: ZYFMASUQUWQDMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]ethyl}-1,3-oxazinan-2-one
• IUPAC Traditional name: 3-{2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl}-1,3-oxazinan-2-one
• Synonyms: 3-{2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]ethyl}-1,3-oxazinan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2592027
• LogD (pH = 7.4): 2.694884
• Log P: 2.7065012
• Molar Refractivity: 105.1658 cm^3
• Polarizability: 36.789986 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -3.77
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 5