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

• ChemBase ID: 861639
• Molecular Formular: C30H31N5O2
• Molecular Mass: 493.59944
• Monoisotopic Mass: 493.24777526
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cn(c3c1cccc3)C)CC2)Cc1ccccc1)Cc1ncccc1
• Canonical SMILES: O=C1N(Cc2ccccn2)C(=O)C2(N1Cc1ccccc1)CCN(CC2)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C30H31N5O2/c1-32-20-24(26-12-5-6-13-27(26)32)21-33-17-14-30(15-18-33)28(36)34(22-25-11-7-8-16-31-25)29(37)35(30)19-23-9-3-2-4-10-23/h2-13,16,20H,14-15,17-19,21-22H2,1H3
• InChIKey: FNEOZILPXBWIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-[(1-methylindol-3-yl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-[(1-methyl-1H-indol-3-yl)methyl]-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): 0.29232776
• LogD (pH = 7.4): 1.7778971
• Log P: 3.6117418
• Molar Refractivity: 143.4723 cm^3
• Polarizability: 56.4981 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.22
• LOG S: -5.75
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 6