7-cyclopentyl-2-{2-methylthieno[2,3-d]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 410235
• Molecular Formular: C20H26N4OS
• Molecular Mass: 370.51164
• Monoisotopic Mass: 370.18273247
• SMILES: c1(c2c(nc(n1)C)scc2)N1CC2(C(=O)N(C3CCCC3)CCC2)CC1
• Canonical SMILES: Cc1nc(N2CCC3(C2)CCCN(C3=O)C2CCCC2)c2c(n1)scc2
• InChI: InChI=1S/C20H26N4OS/c1-14-21-17(16-7-12-26-18(16)22-14)23-11-9-20(13-23)8-4-10-24(19(20)25)15-5-2-3-6-15/h7,12,15H,2-6,8-11,13H2,1H3
• InChIKey: KEJMUOFDUGGNAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-{2-methylthieno[2,3-d]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-{2-methylthieno[2,3-d]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.771191
• LogD (pH = 7.4): 3.8766334
• Log P: 3.878162
• Molar Refractivity: 104.4076 cm^3
• Polarizability: 39.922005 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.03
• LOG S: -4.49
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2