4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide

• ChemBase ID: 578800
• Molecular Formular: C19H20N4O5
• Molecular Mass: 384.3859
• Monoisotopic Mass: 384.14336976
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N[C@@H]2[C@H](Cc3onc(c3)C)COC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CC(=O)NC1=O)N[C@H]1COC[C@H]1Cc1onc(c1)C
• InChI: InChI=1S/C19H20N4O5/c1-11-6-15(28-22-11)7-13-9-27-10-16(13)20-18(25)12-2-4-14(5-3-12)23-8-17(24)21-19(23)26/h2-6,13,16H,7-10H2,1H3,(H,20,25)(H,21,24,26)/t13-,16+/m1/s1
• InChIKey: YJXPBIVPQGDLPP-CJNGLKHVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
• Synonyms: 4-(2,4-dioxoimidazolidin-1-yl)-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.27546036
• LogD (pH = 7.4): -0.28453377
• Log P: -0.27533782
• Molar Refractivity: 98.483 cm^3
• Polarizability: 37.00741 Å^3
• Polar Surface Area: 113.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.55
• LOG S: -2.84
• Polar Surface Area: 113.77 Å^2
• Rotatable Bonds: 5