2-cyclopentyl-9-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 354604
• Molecular Formular: C19H30N6O2
• Molecular Mass: 374.4805
• Monoisotopic Mass: 374.24302423
• SMILES: n1nn(c(n1)C)CCC(=O)N1CCC2(CN(C(=O)CC2)C2CCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)C1CCCC1)CCn1nnnc1C
• InChI: InChI=1S/C19H30N6O2/c1-15-20-21-22-25(15)11-7-17(26)23-12-9-19(10-13-23)8-6-18(27)24(14-19)16-4-2-3-5-16/h16H,2-14H2,1H3
• InChIKey: HMEKSFPTNFHHLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-9-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopentyl-9-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopentyl-9-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.07042584
• LogD (pH = 7.4): 0.07042719
• Log P: 0.07042721
• Molar Refractivity: 113.9502 cm^3
• Polarizability: 38.746323 Å^3
• Polar Surface Area: 84.22 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: 0.65
• LOG S: -2.48
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 4