1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4-(piperidine-1-sulfonyl)-1,4-diazepane

• ChemBase ID: 857659
• Molecular Formular: C16H27N5O3S
• Molecular Mass: 369.48228
• Monoisotopic Mass: 369.18346075
• SMILES: S(=O)(=O)(N1CCN(c2oc(nn2)C2CCC2)CCC1)N1CCCCC1
• Canonical SMILES: O=S(=O)(N1CCCCC1)N1CCCN(CC1)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C16H27N5O3S/c22-25(23,20-9-2-1-3-10-20)21-11-5-8-19(12-13-21)16-18-17-15(24-16)14-6-4-7-14/h14H,1-13H2
• InChIKey: GEYUXWUPBRDKTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4-(piperidine-1-sulfonyl)-1,4-diazepane
• IUPAC Traditional name: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4-(piperidine-1-sulfonyl)-1,4-diazepane
• Synonyms: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)-1,4-diazepane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5650842
• LogD (pH = 7.4): 0.56508535
• Log P: 0.56508535
• Molar Refractivity: 96.8242 cm^3
• Polarizability: 37.02241 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.46
• LOG S: -4.05
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 2