N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazole-6-carboxamide

• ChemBase ID: 701021
• Molecular Formular: C19H18N2OS
• Molecular Mass: 322.42402
• Monoisotopic Mass: 322.11398421
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)c1cc2scnc2cc1
• Canonical SMILES: CN(C1CCCc2c1cccc2)C(=O)c1ccc2c(c1)scn2
• InChI: InChI=1S/C19H18N2OS/c1-21(17-8-4-6-13-5-2-3-7-15(13)17)19(22)14-9-10-16-18(11-14)23-12-20-16/h2-3,5,7,9-12,17H,4,6,8H2,1H3
• InChIKey: RSJDXBOPJAUTKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazole-6-carboxamide
• IUPAC Traditional name: N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazole-6-carboxamide
• Synonyms: N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.124657
• LogD (pH = 7.4): 4.124729
• Log P: 4.12473
• Molar Refractivity: 92.7949 cm^3
• Polarizability: 36.460976 Å^3
• Polar Surface Area: 33.2 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: 3.02
• LOG S: -4.13
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2