N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide

• ChemBase ID: 845908
• Molecular Formular: C23H30N4OS
• Molecular Mass: 410.5755
• Monoisotopic Mass: 410.2140326
• SMILES: c12=NCCCn1c(CC(=O)N(C1CN(C3Cc4c(C3)cccc4)CCC1)C)cs2
• Canonical SMILES: O=C(N(C1CCCN(C1)C1Cc2c(C1)cccc2)C)Cc1csc2=NCCCn12
• InChI: InChI=1S/C23H30N4OS/c1-25(22(28)14-21-16-29-23-24-9-5-11-27(21)23)19-8-4-10-26(15-19)20-12-17-6-2-3-7-18(17)13-20/h2-3,6-7,16,19-20H,4-5,8-15H2,1H3
• InChIKey: MQYSHPASJSINML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1956925
• LogD (pH = 7.4): 0.5740739
• Log P: 2.2475939
• Molar Refractivity: 121.1242 cm^3
• Polarizability: 46.010406 Å^3
• Polar Surface Area: 39.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.65
• LOG S: -4.82
• Polar Surface Area: 39.15 Å^2
• Rotatable Bonds: 4