N-benzyl-3-(1,2-oxazinan-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

• ChemBase ID: 571442
• Molecular Formular: C18H23N3O2S
• Molecular Mass: 345.45912
• Monoisotopic Mass: 345.15109799
• SMILES: N(C(=O)CCN1OCCCC1)(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: O=C(N(Cc1nccs1)Cc1ccccc1)CCN1CCCCO1
• InChI: InChI=1S/C18H23N3O2S/c22-18(8-11-21-10-4-5-12-23-21)20(15-17-19-9-13-24-17)14-16-6-2-1-3-7-16/h1-3,6-7,9,13H,4-5,8,10-12,14-15H2
• InChIKey: OSLUCDZZIRRCOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-(1,2-oxazinan-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: N-benzyl-3-(1,2-oxazinan-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
• Synonyms: N-benzyl-3-(1,2-oxazinan-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7446468
• LogD (pH = 7.4): 1.7453343
• Log P: 1.745343
• Molar Refractivity: 94.6415 cm^3
• Polarizability: 36.97214 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.27
• LOG S: -3.66
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7