N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(trimethyl-1H-pyrazol-4-yl)ethyl]furan-3-carboxamide

• ChemBase ID: 606062
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(c(nn(c1C)C)C)C(N(C(=O)c1cc(oc1)CN1CCOCC1)C)C
• Canonical SMILES: O=C(N(C(c1c(C)nn(c1C)C)C)C)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C19H28N4O3/c1-13-18(15(3)22(5)20-13)14(2)21(4)19(24)16-10-17(26-12-16)11-23-6-8-25-9-7-23/h10,12,14H,6-9,11H2,1-5H3
• InChIKey: JPYPQWPOIQOONE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(trimethyl-1H-pyrazol-4-yl)ethyl]furan-3-carboxamide
• IUPAC Traditional name: N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide
• Synonyms: N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6223964
• LogD (pH = 7.4): 0.94802046
• Log P: 0.9542209
• Molar Refractivity: 112.6139 cm^3
• Polarizability: 37.958794 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.19
• LOG S: -3.3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 5