N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 380688
• Molecular Formular: C21H29N3O2S
• Molecular Mass: 387.53886
• Monoisotopic Mass: 387.19804818
• SMILES: c1(c(ncs1)C)CN(C(=O)CC1CN(C(C)C)CCO1)Cc1ccccc1
• Canonical SMILES: CC(N1CCOC(C1)CC(=O)N(Cc1scnc1C)Cc1ccccc1)C
• InChI: InChI=1S/C21H29N3O2S/c1-16(2)23-9-10-26-19(13-23)11-21(25)24(12-18-7-5-4-6-8-18)14-20-17(3)22-15-27-20/h4-8,15-16,19H,9-14H2,1-3H3
• InChIKey: AHLNMJSLKNXJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-benzyl-2-(4-isopropylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
• Synonyms: N-benzyl-2-(4-isopropylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.57405794
• LogD (pH = 7.4): 2.1970475
• Log P: 2.5317733
• Molar Refractivity: 109.109 cm^3
• Polarizability: 42.40664 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.97
• LOG S: -3.71
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7