2-(3,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)morpholine

• ChemBase ID: 733434
• Molecular Formular: C13H12Cl2N2OS
• Molecular Mass: 315.21818
• Monoisotopic Mass: 314.00473937
• SMILES: c1(N2CC(c3cc(c(cc3)Cl)Cl)OCC2)nccs1
• Canonical SMILES: Clc1ccc(cc1Cl)C1OCCN(C1)c1nccs1
• InChI: InChI=1S/C13H12Cl2N2OS/c14-10-2-1-9(7-11(10)15)12-8-17(4-5-18-12)13-16-3-6-19-13/h1-3,6-7,12H,4-5,8H2
• InChIKey: CTQAKKCXIIFMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.196477
• LogD (pH = 7.4): 4.19814
• Log P: 4.1981616
• Molar Refractivity: 78.1352 cm^3
• Polarizability: 30.001707 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.88
• LOG S: -3.96
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2