N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 530650
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCC2Oc3c(OC2)cccc3)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCC1COc2c(O1)cccc2
• InChI: InChI=1S/C20H21N3O4/c1-13-6-7-14(10-16(13)23-9-8-21-20(23)25)19(24)22-11-15-12-26-17-4-2-3-5-18(17)27-15/h2-7,10,15H,8-9,11-12H2,1H3,(H,21,25)(H,22,24)
• InChIKey: FVJYZIRXLDGWNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.797025
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7559859
• LogD (pH = 7.4): 1.7559861
• Log P: 1.7559861
• Molar Refractivity: 99.3742 cm^3
• Polarizability: 37.82657 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 2
• Log P: 1.27
• LOG S: -2.96