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

• ChemBase ID: 829745
• Molecular Formular: C26H32N6O3
• Molecular Mass: 476.57068
• Monoisotopic Mass: 476.25358891
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1nc3c(n1C)cccc3)CC2)CCCOC)Cc1ncccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1nc2c(n1C)cccc2)Cc1ccccn1
• InChI: InChI=1S/C26H32N6O3/c1-29-22-10-4-3-9-21(22)28-23(29)19-30-15-11-26(12-16-30)24(33)31(18-20-8-5-6-13-27-20)25(34)32(26)14-7-17-35-2/h3-6,8-10,13H,7,11-12,14-19H2,1-2H3
• InChIKey: FESNWKQZIPVVBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.7993119
• LogD (pH = 7.4): 0.8325053
• Log P: 1.1609156
• Molar Refractivity: 131.9196 cm^3
• Polarizability: 52.214504 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.91
• LOG S: -3.54
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 7