5-(1H-imidazol-1-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]furan-2-carboxamide

• ChemBase ID: 391720
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c1(oc(cc1)Cn1cncc1)C(=O)NCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: O=C(c1ccc(o1)Cn1ccnc1)NCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C19H21N5O2/c1-13-15-4-2-3-5-16(15)23-18(22-13)10-21-19(25)17-7-6-14(26-17)11-24-9-8-20-12-24/h6-9,12H,2-5,10-11H2,1H3,(H,21,25)
• InChIKey: FFKBPFAWOHLZJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-imidazol-1-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]furan-2-carboxamide
• IUPAC Traditional name: 5-(imidazol-1-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]furan-2-carboxamide
• Synonyms: 5-(1H-imidazol-1-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.001611
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8179549
• LogD (pH = 7.4): 1.3909445
• Log P: 1.4591051
• Molar Refractivity: 97.2031 cm^3
• Polarizability: 36.12644 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -2.94
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5