N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-3-fluoro-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 453951
• Molecular Formular: C29H30FNO4
• Molecular Mass: 475.5512032
• Monoisotopic Mass: 475.21588667
• SMILES: N(C(=O)c1cc(F)ccc1)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1cccc(c1)F)CC1CCCO1
• InChI: InChI=1S/C29H30FNO4/c1-33-28-14-20(11-12-27(28)35-26-16-21-6-2-3-7-22(21)17-26)18-31(19-25-10-5-13-34-25)29(32)23-8-4-9-24(30)15-23/h2-4,6-9,11-12,14-15,25-26H,5,10,13,16-19H2,1H3
• InChIKey: FYMPTOJVIQEXPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-3-fluoro-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3544497
• LogD (pH = 7.4): 5.3544497
• Log P: 5.3544497
• Molar Refractivity: 133.2873 cm^3
• Polarizability: 50.846855 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.38
• LOG S: -6.9
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7