5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

• ChemBase ID: 521479
• Molecular Formular: C20H22N2O2S
• Molecular Mass: 354.46588
• Monoisotopic Mass: 354.14019895
• SMILES: c1(sc2c(c1)CN(C(=O)C1c3c(CC1)cccc3)CC2)C(=O)N(C)C
• Canonical SMILES: O=C(C1CCc2c1cccc2)N1CCc2c(C1)cc(s2)C(=O)N(C)C
• InChI: InChI=1S/C20H22N2O2S/c1-21(2)20(24)18-11-14-12-22(10-9-17(14)25-18)19(23)16-8-7-13-5-3-4-6-15(13)16/h3-6,11,16H,7-10,12H2,1-2H3
• InChIKey: DTZBCZISJMMHGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• IUPAC Traditional name: 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• Synonyms: 5-(2,3-dihydro-1H-inden-1-ylcarbonyl)-N,N-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9517603
• LogD (pH = 7.4): 2.9517603
• Log P: 2.9517603
• Molar Refractivity: 100.3731 cm^3
• Polarizability: 37.744614 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.4
• LOG S: -3.83
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2