N-benzyl-2-(morpholin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 621543
• Molecular Formular: C17H21N3O2S
• Molecular Mass: 331.43254
• Monoisotopic Mass: 331.13544793
• SMILES: C(=O)(N(Cc1nccs1)Cc1ccccc1)CC1OCCNC1
• Canonical SMILES: O=C(N(Cc1nccs1)Cc1ccccc1)CC1OCCNC1
• InChI: InChI=1S/C17H21N3O2S/c21-17(10-15-11-18-6-8-22-15)20(13-16-19-7-9-23-16)12-14-4-2-1-3-5-14/h1-5,7,9,15,18H,6,8,10-13H2
• InChIKey: AXLMFLDFUYUVOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(morpholin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-(morpholin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-benzyl-2-morpholin-2-yl-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5821909
• LogD (pH = 7.4): 0.106829785
• Log P: 1.1846992
• Molar Refractivity: 89.5983 cm^3
• Polarizability: 35.133793 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.12
• LOG S: -2.57
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6