7-methyl-4-(oxan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

• ChemBase ID: 703969
• Molecular Formular: C15H19NO2S
• Molecular Mass: 277.38186
• Monoisotopic Mass: 277.11364985
• SMILES: N1(c2c(SCC1=O)cc(cc2)C)CC1OCCCC1
• Canonical SMILES: Cc1ccc2c(c1)SCC(=O)N2CC1CCCCO1
• InChI: InChI=1S/C15H19NO2S/c1-11-5-6-13-14(8-11)19-10-15(17)16(13)9-12-4-2-3-7-18-12/h5-6,8,12H,2-4,7,9-10H2,1H3
• InChIKey: WZTLGWOYLRMMAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-4-(oxan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
• IUPAC Traditional name: 7-methyl-4-(oxan-2-ylmethyl)-2H-1,4-benzothiazin-3-one
• Synonyms: 7-methyl-4-(tetrahydro-2H-pyran-2-ylmethyl)-2H-1,4-benzothiazin-3(4H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4698136
• LogD (pH = 7.4): 2.4698136
• Log P: 2.4698136
• Molar Refractivity: 78.2812 cm^3
• Polarizability: 30.301802 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.54
• LOG S: -3.39
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2