2-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)morpholine

• ChemBase ID: 439304
• Molecular Formular: C15H17FN2OS
• Molecular Mass: 292.3716832
• Monoisotopic Mass: 292.10456239
• SMILES: n1c(scc1)CN1CC(OCC1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CC1OCCN(C1)Cc1nccs1
• InChI: InChI=1S/C15H17FN2OS/c16-13-3-1-2-12(8-13)9-14-10-18(5-6-19-14)11-15-17-4-7-20-15/h1-4,7-8,14H,5-6,9-11H2
• InChIKey: OPOYSMZTRAHKKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)morpholine
• IUPAC Traditional name: 2-[(3-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)morpholine
• Synonyms: 2-(3-fluorobenzyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2724884
• LogD (pH = 7.4): 2.636378
• Log P: 2.6437047
• Molar Refractivity: 77.4648 cm^3
• Polarizability: 29.83683 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.46
• LOG S: -2.58
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4