1'-(2-propyl-1,3-thiazole-4-carbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]

• ChemBase ID: 459668
• Molecular Formular: C20H24N2OS
• Molecular Mass: 340.48236
• Monoisotopic Mass: 340.1609344
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCC2(c3c(CC2)cccc3)CC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC2(CC1)CCc1c2cccc1
• InChI: InChI=1S/C20H24N2OS/c1-2-5-18-21-17(14-24-18)19(23)22-12-10-20(11-13-22)9-8-15-6-3-4-7-16(15)20/h3-4,6-7,14H,2,5,8-13H2,1H3
• InChIKey: KQDSRQGTRNNNSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2049804
• LogD (pH = 7.4): 4.2049823
• Log P: 4.2049823
• Molar Refractivity: 97.9345 cm^3
• Polarizability: 37.33835 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.61
• LOG S: -4.77
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3