2-[(4-methoxyphenyl)methyl]-4-(thiophene-3-carbonyl)morpholine

• ChemBase ID: 430024
• Molecular Formular: C17H19NO3S
• Molecular Mass: 317.40266
• Monoisotopic Mass: 317.10856447
• SMILES: C(=O)(N1CC(OCC1)Cc1ccc(cc1)OC)c1cscc1
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)C(=O)c1cscc1
• InChI: InChI=1S/C17H19NO3S/c1-20-15-4-2-13(3-5-15)10-16-11-18(7-8-21-16)17(19)14-6-9-22-12-14/h2-6,9,12,16H,7-8,10-11H2,1H3
• InChIKey: QVOSRFODIIZILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methyl]-4-(thiophene-3-carbonyl)morpholine
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methyl]-4-(thiophene-3-carbonyl)morpholine
• Synonyms: 2-(4-methoxybenzyl)-4-(3-thienylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7484097
• LogD (pH = 7.4): 2.74841
• Log P: 2.74841
• Molar Refractivity: 86.6111 cm^3
• Polarizability: 33.12056 Å^3
• Polar Surface Area: 38.77 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: 2.55
• LOG S: -3.54
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3