N-methyl-6-[(1-methyl-1H-indol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 320692
• Molecular Formular: C23H28N4OS
• Molecular Mass: 408.55962
• Monoisotopic Mass: 408.19838254
• SMILES: C1(C2(C1)CCN(Cc1cn(c3c1cccc3)C)CC2)C(=O)N(Cc1ncsc1)C
• Canonical SMILES: O=C(C1CC21CCN(CC2)Cc1cn(c2c1cccc2)C)N(Cc1cscn1)C
• InChI: InChI=1S/C23H28N4OS/c1-25-12-17(19-5-3-4-6-21(19)25)13-27-9-7-23(8-10-27)11-20(23)22(28)26(2)14-18-15-29-16-24-18/h3-6,12,15-16,20H,7-11,13-14H2,1-2H3
• InChIKey: ZXCYWQGODADRLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-[(1-methyl-1H-indol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-methyl-6-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-methyl-6-[(1-methyl-1H-indol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7779281
• LogD (pH = 7.4): 0.6668964
• Log P: 2.538679
• Molar Refractivity: 117.1017 cm^3
• Polarizability: 46.192352 Å^3
• Polar Surface Area: 41.37 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: 1.92
• LOG S: -3.14
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5