3-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-N-(1,3-thiazol-2-yl)propanamide

• ChemBase ID: 463685
• Molecular Formular: C18H23N3O3S
• Molecular Mass: 361.45852
• Monoisotopic Mass: 361.14601261
• SMILES: c1(NC(=O)CCN2CC(OCC2)Cc2cc(OC)ccc2)nccs1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)CCC(=O)Nc1nccs1
• InChI: InChI=1S/C18H23N3O3S/c1-23-15-4-2-3-14(11-15)12-16-13-21(8-9-24-16)7-5-17(22)20-18-19-6-10-25-18/h2-4,6,10-11,16H,5,7-9,12-13H2,1H3,(H,19,20,22)
• InChIKey: OVSSZRRENYPRGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-N-(1,3-thiazol-2-yl)propanamide
• IUPAC Traditional name: 3-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-N-(1,3-thiazol-2-yl)propanamide
• Synonyms: 3-[2-(3-methoxybenzyl)-4-morpholinyl]-N-1,3-thiazol-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.768951
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1178962
• LogD (pH = 7.4): 2.2932773
• Log P: 2.3792398
• Molar Refractivity: 98.3066 cm^3
• Polarizability: 37.592854 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.57
• LOG S: -4.03
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7