2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 730819
• Molecular Formular: C24H31N3O2
• Molecular Mass: 393.52184
• Monoisotopic Mass: 393.24162725
• SMILES: C1(N2C[C@H](O[C@H](C2)C)C)(C(=O)N(CCc2ncccc2)C)Cc2c(C1)cccc2
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1(Cc2c(C1)cccc2)C(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C24H31N3O2/c1-18-16-27(17-19(2)29-18)24(14-20-8-4-5-9-21(20)15-24)23(28)26(3)13-11-22-10-6-7-12-25-22/h4-10,12,18-19H,11,13-17H2,1-3H3/t18-,19+
• InChIKey: BEYGAJUNBMPJCX-KDURUIRLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3-dihydroindene-2-carboxamide
• Synonyms: 2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6055785
• LogD (pH = 7.4): 2.9597104
• Log P: 3.0894341
• Molar Refractivity: 114.6205 cm^3
• Polarizability: 44.935688 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.08
• LOG S: -3.81
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5