2-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 614787
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: c12c(nc(nc2)C(C)(C)C)CC(CC1NCc1c(c(OC)ccc1)OC)(C)C
• Canonical SMILES: COc1c(CNC2CC(C)(C)Cc3c2cnc(n3)C(C)(C)C)cccc1OC
• InChI: InChI=1S/C23H33N3O2/c1-22(2,3)21-25-14-16-17(11-23(4,5)12-18(16)26-21)24-13-15-9-8-10-19(27-6)20(15)28-7/h8-10,14,17,24H,11-13H2,1-7H3
• InChIKey: BRMSJEYTOKKXSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 2-tert-butyl-N-(2,3-dimethoxybenzyl)-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1809804
• LogD (pH = 7.4): 3.93588
• Log P: 4.719808
• Molar Refractivity: 112.6178 cm^3
• Polarizability: 44.067024 Å^3
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.71
• LOG S: -4.14
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 4