N-(3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide

• ChemBase ID: 723298
• Molecular Formular: C20H19N3O4
• Molecular Mass: 365.38256
• Monoisotopic Mass: 365.1375561
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCC2Cc3c(OC2)cccc3)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCC1COc2c(C1)cccc2
• InChI: InChI=1S/C20H19N3O4/c24-18-11-23(20(26)22-18)16-7-5-14(6-8-16)19(25)21-10-13-9-15-3-1-2-4-17(15)27-12-13/h1-8,13H,9-12H2,(H,21,25)(H,22,24,26)
• InChIKey: MRFDFENJRUHTKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-(3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• Synonyms: N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2940729
• LogD (pH = 7.4): 1.2849942
• Log P: 1.2941902
• Molar Refractivity: 98.1675 cm^3
• Polarizability: 37.300003 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.59
• LOG S: -3.22
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4