8-(cyclohexylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 361827
• Molecular Formular: C25H37N3O4
• Molecular Mass: 443.57898
• Monoisotopic Mass: 443.27840668
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC1CCCCC1)CCOC)Cc1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)CC1CCCCC1)Cc1cccc(c1)OC
• InChI: InChI=1S/C25H37N3O4/c1-31-16-15-28-24(30)27(19-21-9-6-10-22(17-21)32-2)23(29)25(28)11-13-26(14-12-25)18-20-7-4-3-5-8-20/h6,9-10,17,20H,3-5,7-8,11-16,18-19H2,1-2H3
• InChIKey: GCAQWWFQNONLGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclohexylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(cyclohexylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(cyclohexylmethyl)-3-(3-methoxybenzyl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.56791896
• LogD (pH = 7.4): 0.38954714
• Log P: 2.8861945
• Molar Refractivity: 124.1947 cm^3
• Polarizability: 48.446865 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.43
• LOG S: -3.61
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6