8-methoxy-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 825830
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: C1(C(=O)N(CCCc2n(ccn2)C)C)Cc2c(OC1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1OCC(C2)C(=O)N(CCCc1nccn1C)C
• InChI: InChI=1S/C19H25N3O3/c1-21-11-9-20-17(21)8-5-10-22(2)19(23)15-12-14-6-4-7-16(24-3)18(14)25-13-15/h4,6-7,9,11,15H,5,8,10,12-13H2,1-3H3
• InChIKey: AFZXUSRHOLASGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: 8-methoxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: 8-methoxy-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-3-chromanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.85637975
• LogD (pH = 7.4): 1.5513903
• Log P: 1.5899415
• Molar Refractivity: 95.842 cm^3
• Polarizability: 36.909477 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -2.76
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6