7-[3-(morpholine-4-carbonyl)benzenesulfonyl]-1-oxa-7-azaspiro[3.5]nonane

• ChemBase ID: 765507
• Molecular Formular: C18H24N2O5S
• Molecular Mass: 380.45856
• Monoisotopic Mass: 380.14059288
• SMILES: S(=O)(=O)(N1CCC2(OCC2)CC1)c1cc(C(=O)N2CCOCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N1CCC2(CC1)CCO2)N1CCOCC1
• InChI: InChI=1S/C18H24N2O5S/c21-17(19-9-12-24-13-10-19)15-2-1-3-16(14-15)26(22,23)20-7-4-18(5-8-20)6-11-25-18/h1-3,14H,4-13H2
• InChIKey: VUKILUDSYTZQBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[3-(morpholine-4-carbonyl)benzenesulfonyl]-1-oxa-7-azaspiro[3.5]nonane
• IUPAC Traditional name: 7-[3-(morpholine-4-carbonyl)benzenesulfonyl]-1-oxa-7-azaspiro[3.5]nonane
• Synonyms: 7-{[3-(morpholin-4-ylcarbonyl)phenyl]sulfonyl}-1-oxa-7-azaspiro[3.5]nonane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.12048977
• LogD (pH = 7.4): -0.1204897
• Log P: -0.1204897
• Molar Refractivity: 97.2171 cm^3
• Polarizability: 37.972584 Å^3
• Polar Surface Area: 76.15 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: -0.36
• LOG S: -2.98
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 2