7-(cyclobutylmethyl)-2-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 327533
• Molecular Formular: C21H36N4O2
• Molecular Mass: 376.53614
• Monoisotopic Mass: 376.28382641
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)CN2CCN(CCC2)C)CC1
• Canonical SMILES: CN1CCCN(CC1)CC(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C21H36N4O2/c1-22-9-4-10-23(14-13-22)16-19(26)25-12-8-21(17-25)7-3-11-24(20(21)27)15-18-5-2-6-18/h18H,2-17H2,1H3
• InChIKey: CMEOSIHXQWPOTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[(4-methyl-1,4-diazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6256504
• LogD (pH = 7.4): -0.8849864
• Log P: 0.3926966
• Molar Refractivity: 107.7597 cm^3
• Polarizability: 41.963768 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.54
• LOG S: -3.26
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4