8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 409090
• Molecular Formular: C26H32N4O3
• Molecular Mass: 448.55728
• Monoisotopic Mass: 448.2474409
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C1Cc3c(C1)cccc3)CC2)CCCOC)Cc1ncccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C1Cc2c(C1)cccc2)Cc1ccccn1
• InChI: InChI=1S/C26H32N4O3/c1-33-16-6-13-30-25(32)29(19-22-9-4-5-12-27-22)24(31)26(30)10-14-28(15-11-26)23-17-20-7-2-3-8-21(20)18-23/h2-5,7-9,12,23H,6,10-11,13-19H2,1H3
• InChIKey: IJCRIWUFKOYBAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,3-dihydro-1H-inden-2-yl)-1-(3-methoxypropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3905504
• LogD (pH = 7.4): 0.026363183
• Log P: 1.9661317
• Molar Refractivity: 126.5202 cm^3
• Polarizability: 48.94015 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.4
• LOG S: -4.11
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6