N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-2,3-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-7-carboxamide

• ChemBase ID: 845082
• Molecular Formular: C29H32N2O5
• Molecular Mass: 488.57478
• Monoisotopic Mass: 488.23112213
• SMILES: c12[nH]c(c(c2cccc1C(=O)N(Cc1cc(OCc2occc2)c(cc1)OC)CC1OCCC1)C)C
• Canonical SMILES: COc1ccc(cc1OCc1ccco1)CN(C(=O)c1cccc2c1[nH]c(c2C)C)CC1CCCO1
• InChI: InChI=1S/C29H32N2O5/c1-19-20(2)30-28-24(19)9-4-10-25(28)29(32)31(17-22-7-5-13-34-22)16-21-11-12-26(33-3)27(15-21)36-18-23-8-6-14-35-23/h4,6,8-12,14-15,22,30H,5,7,13,16-18H2,1-3H3
• InChIKey: WLLKRJOJRBJQMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-2,3-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-7-carboxamide
• IUPAC Traditional name: N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-2,3-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-7-carboxamide
• Synonyms: N-[3-(2-furylmethoxy)-4-methoxybenzyl]-2,3-dimethyl-N-(tetrahydro-2-furanylmethyl)-1H-indole-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.07962
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.695422
• LogD (pH = 7.4): 4.695422
• Log P: 4.695422
• Molar Refractivity: 139.0044 cm^3
• Polarizability: 53.985764 Å^3
• Polar Surface Area: 76.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 5.37
• LOG S: -6.71
• Polar Surface Area: 76.93 Å^2
• Rotatable Bonds: 8