2-[(4-methoxyphenyl)methyl]-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholine

• ChemBase编号: 501692
• 分子式: C19H23N3O2S
• 平均质量: 357.46982
• 单一同位素质量: 357.15109799
• SMILES: c12n(c(c(n1)C)CN1CC(OCC1)Cc1ccc(cc1)OC)ccs2
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C19H23N3O2S/c1-14-18(22-8-10-25-19(22)20-14)13-21-7-9-24-17(12-21)11-15-3-5-16(23-2)6-4-15/h3-6,8,10,17H,7,9,11-13H2,1-2H3
• InChIKey: NSLSLEGCKUDRNU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(4-methoxyphenyl)methyl]-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholine
• IUPAC传统名: 2-[(4-methoxyphenyl)methyl]-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholine
• 别名: 5-{[2-(4-methoxybenzyl)-4-morpholinyl]methyl}-6-methylimidazo[2,1-b][1,3]thiazole

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5304178
• LogD (pH = 7.4): 2.4413834
• Log P: 2.4827485
• 摩尔折射率: 111.0996 cm^3
• 极化性: 38.308197 Å^3
• 极化表面积: 39.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.17
• LOG S: -3.37
• 极化表面积: 39.0 Å^2
• 可自由旋转的化学键: 4