N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-hydroxy-4-methylbenzamide

• ChemBase ID: 626542
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c12c(nc(nc2)C(C)(C)C)CC(CC1NC(=O)c1c(cc(cc1)C)O)(C)C
• Canonical SMILES: Cc1ccc(c(c1)O)C(=O)NC1CC(C)(C)Cc2c1cnc(n2)C(C)(C)C
• InChI: InChI=1S/C22H29N3O2/c1-13-7-8-14(18(26)9-13)19(27)24-16-10-22(5,6)11-17-15(16)12-23-20(25-17)21(2,3)4/h7-9,12,16,26H,10-11H2,1-6H3,(H,24,27)
• InChIKey: DVEDVZBSLMQXQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-hydroxy-4-methylbenzamide
• IUPAC Traditional name: N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
• Synonyms: N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-hydroxy-4-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.289571
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 5.470457
• LogD (pH = 7.4): 5.4191346
• Log P: 5.471567
• Molar Refractivity: 107.4406 cm^3
• Polarizability: 40.860767 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.45
• LOG S: -5.1
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 3