N-(2-methoxyethyl)-4-(piperidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

• ChemBase ID: 323335
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: C(=O)(N(Cc1nccs1)CCOC)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: COCCN(C(=O)c1ccc(cc1)C1CCCNC1)Cc1nccs1
• InChI: InChI=1S/C19H25N3O2S/c1-24-11-10-22(14-18-21-9-12-25-18)19(23)16-6-4-15(5-7-16)17-3-2-8-20-13-17/h4-7,9,12,17,20H,2-3,8,10-11,13-14H2,1H3
• InChIKey: LWYGQCUPHUIRPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-(piperidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-4-(piperidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
• Synonyms: N-(2-methoxyethyl)-4-piperidin-3-yl-N-(1,3-thiazol-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3547812
• LogD (pH = 7.4): -0.6420841
• Log P: 1.8637137
• Molar Refractivity: 100.4653 cm^3
• Polarizability: 38.519062 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.1
• LOG S: -3.61
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7