8-[(4-chlorophenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 482193
• Molecular Formular: C28H29ClN4O2
• Molecular Mass: 489.00846
• Monoisotopic Mass: 488.19790387
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(Cl)cc1)CCc1ccccc1)Cc1ncccc1
• Canonical SMILES: Clc1ccc(cc1)CN1CCC2(CC1)N(CCc1ccccc1)C(=O)N(C2=O)Cc1ccccn1
• InChI: InChI=1S/C28H29ClN4O2/c29-24-11-9-23(10-12-24)20-31-18-14-28(15-19-31)26(34)32(21-25-8-4-5-16-30-25)27(35)33(28)17-13-22-6-2-1-3-7-22/h1-12,16H,13-15,17-21H2
• InChIKey: XHJIJTBEZQJEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(4-chlorophenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(4-chlorophenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(4-chlorobenzyl)-1-(2-phenylethyl)-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): 1.7038791
• LogD (pH = 7.4): 3.4841828
• Log P: 4.1820097
• Molar Refractivity: 137.0489 cm^3
• Polarizability: 53.216553 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.91
• LOG S: -5.72
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7