8-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 447046
• Molecular Formular: C19H32N4O4
• Molecular Mass: 380.48178
• Monoisotopic Mass: 380.24235552
• SMILES: [C@H]1([C@@H]2[C@H]1CNC2)C(=O)N1CCC2(OC(=O)N(C2)CCN(CCOC)C)CC1
• Canonical SMILES: COCCN(CCN1CC2(OC1=O)CCN(CC2)C(=O)[C@@H]1[C@@H]2[C@H]1CNC2)C
• InChI: InChI=1S/C19H32N4O4/c1-21(9-10-26-2)7-8-23-13-19(27-18(23)25)3-5-22(6-4-19)17(24)16-14-11-20-12-15(14)16/h14-16,20H,3-13H2,1-2H3/t14-,15+,16+
• InChIKey: HCOXRPPCCPQFQS-ZSHCYNCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(1R*,5S*,6r)-3-azabicyclo[3.1.0]hex-6-ylcarbonyl]-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -7.3026023
• LogD (pH = 7.4): -5.36276
• Log P: -1.5053715
• Molar Refractivity: 100.959 cm^3
• Polarizability: 39.71282 Å^3
• Polar Surface Area: 74.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.21
• LOG S: -2.25
• Polar Surface Area: 74.35 Å^2
• Rotatable Bonds: 7