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

• ChemBase ID: 862612
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: N1(C(=O)C(CC2(C1)CCN(Cc1nnc(o1)C)CC2)c1ccccc1)C1CC1
• Canonical SMILES: O=C1C(CC2(CN1C1CC1)CCN(CC2)Cc1nnc(o1)C)c1ccccc1
• InChI: InChI=1S/C22H28N4O2/c1-16-23-24-20(28-16)14-25-11-9-22(10-12-25)13-19(17-5-3-2-4-6-17)21(27)26(15-22)18-7-8-18/h2-6,18-19H,7-15H2,1H3
• InChIKey: LSMLGYPXPLKRJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.53933895
• LogD (pH = 7.4): 0.92363733
• Log P: 1.1192117
• Molar Refractivity: 108.3368 cm^3
• Polarizability: 41.28244 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: 2.2
• LOG S: -3.85
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4