1-benzyl-8-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 680658
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC(C)C)Cc1ccccc1)Cc1ncccc1
• Canonical SMILES: CC(CN1CCC2(CC1)N(Cc1ccccc1)C(=O)N(C2=O)Cc1ccccn1)C
• InChI: InChI=1S/C24H30N4O2/c1-19(2)16-26-14-11-24(12-15-26)22(29)27(18-21-10-6-7-13-25-21)23(30)28(24)17-20-8-4-3-5-9-20/h3-10,13,19H,11-12,14-18H2,1-2H3
• InChIKey: DHGWPQOMUKDOHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-isobutyl-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5984376
• LogD (pH = 7.4): 0.68673825
• Log P: 2.8091338
• Molar Refractivity: 116.6207 cm^3
• Polarizability: 45.44556 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -3.72
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 5