2-(6-methoxynaphthalen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]morpholine

• ChemBase ID: 757525
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: c1(nnc(s1)C)CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1nnc(s1)C
• InChI: InChI=1S/C19H21N3O2S/c1-13-20-21-19(25-13)12-22-7-8-24-18(11-22)16-4-3-15-10-17(23-2)6-5-14(15)9-16/h3-6,9-10,18H,7-8,11-12H2,1-2H3
• InChIKey: XZSOKFUULHFGFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0046089
• LogD (pH = 7.4): 2.2785683
• Log P: 2.2834651
• Molar Refractivity: 99.9703 cm^3
• Polarizability: 39.30234 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.14
• LOG S: -3.46
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4