2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}acetamide

• ChemBase ID: 510336
• Molecular Formular: C19H24N2OS
• Molecular Mass: 328.47166
• Monoisotopic Mass: 328.1609344
• SMILES: n1c(scc1CN(C(=O)CC1c2c(CC1)cccc2)C)C(C)C
• Canonical SMILES: O=C(N(Cc1csc(n1)C(C)C)C)CC1CCc2c1cccc2
• InChI: InChI=1S/C19H24N2OS/c1-13(2)19-20-16(12-23-19)11-21(3)18(22)10-15-9-8-14-6-4-5-7-17(14)15/h4-7,12-13,15H,8-11H2,1-3H3
• InChIKey: KPQWGAQALWERHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methylacetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.863417
• LogD (pH = 7.4): 3.8640041
• Log P: 3.8640115
• Molar Refractivity: 94.3107 cm^3
• Polarizability: 36.42603 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.49
• LOG S: -4.58
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5