N5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine

• ChemBase ID: 448817
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(nc2c(cn1)C(NCc1cc3c(OCCO3)cc1)CCC2)N(C)C
• Canonical SMILES: CN(c1ncc2c(n1)CCCC2NCc1ccc2c(c1)OCCO2)C
• InChI: InChI=1S/C19H24N4O2/c1-23(2)19-21-12-14-15(4-3-5-16(14)22-19)20-11-13-6-7-17-18(10-13)25-9-8-24-17/h6-7,10,12,15,20H,3-5,8-9,11H2,1-2H3
• InChIKey: GPWZUEPMZLPXME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• IUPAC Traditional name: N5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N2,N2-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• Synonyms: N~5~-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydro-2,5-quinazolinediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.30904475
• LogD (pH = 7.4): 1.3647044
• Log P: 2.4952288
• Molar Refractivity: 97.6729 cm^3
• Polarizability: 37.18285 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.02
• LOG S: -3.71
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 3