8-methoxy-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 758719
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: C1(C(=O)N(Cc2ccncc2)CCOC)Cc2c(OC1)c(OC)ccc2
• Canonical SMILES: COCCN(C(=O)C1COc2c(C1)cccc2OC)Cc1ccncc1
• InChI: InChI=1S/C20H24N2O4/c1-24-11-10-22(13-15-6-8-21-9-7-15)20(23)17-12-16-4-3-5-18(25-2)19(16)26-14-17/h3-9,17H,10-14H2,1-2H3
• InChIKey: NMESLTPRLFDFEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: 8-methoxy-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: 8-methoxy-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)chromane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5116436
• LogD (pH = 7.4): 1.6196275
• Log P: 1.6212472
• Molar Refractivity: 98.0957 cm^3
• Polarizability: 38.125145 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.66
• LOG S: -1.92
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7