8-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 539060
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: c1(c(n(nc1)C)C1CC1)CN1CCC2(OC(=O)N(CC(c3ccccc3)C)C2)CC1
• Canonical SMILES: O=C1OC2(CN1CC(c1ccccc1)C)CCN(CC2)Cc1cnn(c1C1CC1)C
• InChI: InChI=1S/C24H32N4O2/c1-18(19-6-4-3-5-7-19)15-28-17-24(30-23(28)29)10-12-27(13-11-24)16-21-14-25-26(2)22(21)20-8-9-20/h3-7,14,18,20H,8-13,15-17H2,1-2H3
• InChIKey: LCZURGNBKGLBAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.36308196
• LogD (pH = 7.4): 2.1368928
• Log P: 2.9691758
• Molar Refractivity: 128.9529 cm^3
• Polarizability: 45.429775 Å^3
• Polar Surface Area: 50.6 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: 3.53
• LOG S: -4.18
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6