3-methyl-8-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 427268
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(nc(nc2c1CCC2)c1ccccc1)N1CCC2(OC(=O)N(C2)C)CC1
• Canonical SMILES: O=C1OC2(CN1C)CCN(CC2)c1nc(nc2c1CCC2)c1ccccc1
• InChI: InChI=1S/C21H24N4O2/c1-24-14-21(27-20(24)26)10-12-25(13-11-21)19-16-8-5-9-17(16)22-18(23-19)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
• InChIKey: VOZGQQADPOITKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-8-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-8-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2970438
• LogD (pH = 7.4): 3.6839998
• Log P: 3.6920877
• Molar Refractivity: 114.5994 cm^3
• Polarizability: 39.761875 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.1
• LOG S: -4.5
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2