8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 421854
• Molecular Formular: C25H30N4O5
• Molecular Mass: 466.5295
• Monoisotopic Mass: 466.22162008
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(OCCO2)cc1)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2)Cc1cccnc1
• InChI: InChI=1S/C25H30N4O5/c1-32-12-11-29-24(31)28(18-20-3-2-8-26-16-20)23(30)25(29)6-9-27(10-7-25)17-19-4-5-21-22(15-19)34-14-13-33-21/h2-5,8,15-16H,6-7,9-14,17-18H2,1H3
• InChIKey: YOTNZDSBOODYQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-methoxyethyl)-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -1.752549
• LogD (pH = 7.4): 0.092297055
• Log P: 0.94951576
• Molar Refractivity: 125.3996 cm^3
• Polarizability: 48.63591 Å^3
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.25
• LOG S: -2.23
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 6