N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-2-(thiophen-2-yl)acetamide

• ChemBase ID: 686029
• Molecular Formular: C26H34N2O2S
• Molecular Mass: 438.62536
• Monoisotopic Mass: 438.23409934
• SMILES: C(=O)(N(CC1OCCC1)CC1CCN(C2Cc3c(C2)cccc3)CC1)Cc1sccc1
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCN(CC1)C1Cc2c(C1)cccc2)Cc1cccs1
• InChI: InChI=1S/C26H34N2O2S/c29-26(17-25-8-4-14-31-25)28(19-24-7-3-13-30-24)18-20-9-11-27(12-10-20)23-15-21-5-1-2-6-22(21)16-23/h1-2,4-6,8,14,20,23-24H,3,7,9-13,15-19H2
• InChIKey: CJRDDVNUVZGURC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-2-(thiophen-2-yl)acetamide
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7918951
• LogD (pH = 7.4): 2.0579805
• Log P: 4.1830707
• Molar Refractivity: 126.7423 cm^3
• Polarizability: 49.121223 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.92
• LOG S: -5.09
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7