2-(2,3-dihydro-1H-inden-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 842297
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(C2Cc3c(C2)cccc3)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C1Cc2c(C1)cccc2)Cc1cccnc1
• InChI: InChI=1S/C23H27N3O/c27-22-23(8-4-11-25(22)16-18-5-3-10-24-15-18)9-12-26(17-23)21-13-19-6-1-2-7-20(19)14-21/h1-3,5-7,10,15,21H,4,8-9,11-14,16-17H2
• InChIKey: ZBVHSZFQSJCYDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2,3-dihydro-1H-inden-2-yl)-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7846458
• LogD (pH = 7.4): -0.06198676
• Log P: 2.7616692
• Molar Refractivity: 107.4041 cm^3
• Polarizability: 41.523174 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.09
• LOG S: -3.21
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3