4-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzoyl}thiomorpholine

• ChemBase ID: 612360
• Molecular Formular: C20H26N2O3S
• Molecular Mass: 374.49704
• Monoisotopic Mass: 374.1664137
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)N2CCSCC2)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCSCC1)C1CC1
• InChI: InChI=1S/C20H26N2O3S/c23-19(15-1-2-15)21-9-7-18(8-10-21)25-17-5-3-16(4-6-17)20(24)22-11-13-26-14-12-22/h3-6,15,18H,1-2,7-14H2
• InChIKey: XVPXFZFUTRFWCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzoyl}thiomorpholine
• IUPAC Traditional name: 4-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzoyl}thiomorpholine
• Synonyms: 4-(4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzoyl)thiomorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5082221
• LogD (pH = 7.4): 1.5082225
• Log P: 1.5082225
• Molar Refractivity: 103.8746 cm^3
• Polarizability: 39.871605 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.74
• LOG S: -3.44
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4