N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide

• ChemBase ID: 540724
• Molecular Formular: C15H19N3O2S
• Molecular Mass: 305.39526
• Monoisotopic Mass: 305.11979786
• SMILES: c12c(nsn1)ccc(c2)CN(C(=O)C1(COC)CCC1)C
• Canonical SMILES: COCC1(CCC1)C(=O)N(Cc1ccc2c(c1)nsn2)C
• InChI: InChI=1S/C15H19N3O2S/c1-18(14(19)15(10-20-2)6-3-7-15)9-11-4-5-12-13(8-11)17-21-16-12/h4-5,8H,3,6-7,9-10H2,1-2H3
• InChIKey: PPOCYFOGCHZERX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide
• Synonyms: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(methoxymethyl)-N-methylcyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4279003
• LogD (pH = 7.4): 2.4279006
• Log P: 2.4279006
• Molar Refractivity: 82.3814 cm^3
• Polarizability: 32.53827 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.37
• LOG S: -2.6
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5