N-methyl-5-(morpholin-4-ylmethyl)-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}furan-3-carboxamide

• ChemBase ID: 408356
• Molecular Formular: C18H25N3O3S
• Molecular Mass: 363.4744
• Monoisotopic Mass: 363.16166268
• SMILES: c1(C(=O)N(Cc2nc(sc2)C(C)C)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: CN(C(=O)c1coc(c1)CN1CCOCC1)Cc1csc(n1)C(C)C
• InChI: InChI=1S/C18H25N3O3S/c1-13(2)17-19-15(12-25-17)9-20(3)18(22)14-8-16(24-11-14)10-21-4-6-23-7-5-21/h8,11-13H,4-7,9-10H2,1-3H3
• InChIKey: DZKAZNVMBPGJSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(morpholin-4-ylmethyl)-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}furan-3-carboxamide
• IUPAC Traditional name: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-(4-morpholinylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5551938
• LogD (pH = 7.4): 1.8795208
• Log P: 1.8857058
• Molar Refractivity: 97.8788 cm^3
• Polarizability: 37.264324 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.73
• LOG S: -2.47
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6