N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 395426
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC[C@@H]2Oc3c(CC2)cccc3)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NC[C@H]1CCc2c(O1)cccc2
• InChI: InChI=1S/C21H23N3O3/c1-14-6-7-16(12-18(14)24-11-10-22-21(24)26)20(25)23-13-17-9-8-15-4-2-3-5-19(15)27-17/h2-7,12,17H,8-11,13H2,1H3,(H,22,26)(H,23,25)/t17-/m1/s1
• InChIKey: RUKGHOKPFZLFLM-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[(2R)-3,4-dihydro-2H-chromen-2-ylmethyl]-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.79807
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5696392
• LogD (pH = 7.4): 2.5696394
• Log P: 2.5696394
• Molar Refractivity: 102.7906 cm^3
• Polarizability: 38.890015 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.11
• LOG S: -3.67
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4