9-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 366453
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(Cc1oc(nn1)C1CC1)CC2)C
• Canonical SMILES: O=C1N(C)CC2(CC1c1ccccc1)CCN(CC2)Cc1nnc(o1)C1CC1
• InChI: InChI=1S/C22H28N4O2/c1-25-15-22(13-18(21(25)27)16-5-3-2-4-6-16)9-11-26(12-10-22)14-19-23-24-20(28-19)17-7-8-17/h2-6,17-18H,7-15H2,1H3
• InChIKey: CFYYMAFBDYLGSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.1480518
• LogD (pH = 7.4): 1.2651922
• Log P: 1.4334433
• Molar Refractivity: 108.5248 cm^3
• Polarizability: 41.281586 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.81
• LOG S: -3.52
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4