7-cyclopentyl-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 862213
• Molecular Formular: C18H28N4OS
• Molecular Mass: 348.50612
• Monoisotopic Mass: 348.19838254
• SMILES: c1(sc(nn1)C(C)C)N1CC2(C(=O)N(C3CCCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)c1nnc(s1)C(C)C)C1CCCC1
• InChI: InChI=1S/C18H28N4OS/c1-13(2)15-19-20-17(24-15)21-11-9-18(12-21)8-5-10-22(16(18)23)14-6-3-4-7-14/h13-14H,3-12H2,1-2H3
• InChIKey: AYHOBEWLVHIIEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.213766
• LogD (pH = 7.4): 3.2137833
• Log P: 3.2137835
• Molar Refractivity: 97.9593 cm^3
• Polarizability: 36.803947 Å^3
• Polar Surface Area: 49.33 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: 2.35
• LOG S: -3.75
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3