6-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one

• ChemBase ID: 325216
• Molecular Formular: C19H15F2N3O3
• Molecular Mass: 371.3375064
• Monoisotopic Mass: 371.1081478
• SMILES: c1(c2c(c(ccc2OC)F)F)n(c2cc3oc(=O)n(c3cc2)CC)ccn1
• Canonical SMILES: COc1ccc(c(c1c1nccn1c1ccc2c(c1)oc(=O)n2CC)F)F
• InChI: InChI=1S/C19H15F2N3O3/c1-3-23-13-6-4-11(10-15(13)27-19(23)25)24-9-8-22-18(24)16-14(26-2)7-5-12(20)17(16)21/h4-10H,3H2,1-2H3
• InChIKey: CWHOICGNFMDUBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one
• IUPAC Traditional name: 6-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
• Synonyms: 6-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.338668
• LogD (pH = 7.4): 3.466211
• Log P: 3.468168
• Molar Refractivity: 114.0747 cm^3
• Polarizability: 36.24123 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.57
• LOG S: -4.96
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 4