9-(cyclopropylmethyl)-1-methyl-4-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 449349
• Molecular Formular: C20H33N5O2
• Molecular Mass: 375.50832
• Monoisotopic Mass: 375.26342532
• SMILES: n1c(noc1C(C)C)CN1CC2(N(CC1)C)CCN(C(=O)CC2)CC1CC1
• Canonical SMILES: CC(c1onc(n1)CN1CCN(C2(C1)CCC(=O)N(CC2)CC1CC1)C)C
• InChI: InChI=1S/C20H33N5O2/c1-15(2)19-21-17(22-27-19)13-24-11-10-23(3)20(14-24)7-6-18(26)25(9-8-20)12-16-4-5-16/h15-16H,4-14H2,1-3H3
• InChIKey: YBIYTFXYAZNTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-1-methyl-4-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): -1.2181405
• LogD (pH = 7.4): 0.5700386
• Log P: 1.604353
• Molar Refractivity: 105.9725 cm^3
• Polarizability: 40.592922 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 0
• Log P: 1.56
• LOG S: -3.27
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6