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

• ChemBase ID: 604866
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: c1(c(nns1)C)CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1snnc1C
• InChI: InChI=1S/C19H21N3O2S/c1-13-19(25-21-20-13)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: QVTSPWBMRYVWAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3645217
• LogD (pH = 7.4): 3.1365733
• Log P: 3.164735
• Molar Refractivity: 99.545 cm^3
• Polarizability: 39.313675 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: 3.35
• LOG S: -3.65
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4