1'-(dimethyl-1,3-thiazole-5-carbonyl)spiro[indene-1,4'-piperidine]

• ChemBase ID: 400891
• Molecular Formular: C19H20N2OS
• Molecular Mass: 324.4399
• Monoisotopic Mass: 324.12963427
• SMILES: c1(C(=O)N2CCC3(C=Cc4c3cccc4)CC2)c(nc(s1)C)C
• Canonical SMILES: Cc1nc(c(s1)C(=O)N1CCC2(CC1)C=Cc1c2cccc1)C
• InChI: InChI=1S/C19H20N2OS/c1-13-17(23-14(2)20-13)18(22)21-11-9-19(10-12-21)8-7-15-5-3-4-6-16(15)19/h3-8H,9-12H2,1-2H3
• InChIKey: XGXWHASLPRUAAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(dimethyl-1,3-thiazole-5-carbonyl)spiro[indene-1,4'-piperidine]
• IUPAC Traditional name: 1'-(dimethyl-1,3-thiazole-5-carbonyl)spiro[indene-1,4'-piperidine]
• Synonyms: 1'-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]spiro[indene-1,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.658526
• LogD (pH = 7.4): 2.6586144
• Log P: 2.6586156
• Molar Refractivity: 94.5708 cm^3
• Polarizability: 35.32467 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.71
• LOG S: -3.88
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1