N-{[5-({1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}methyl)furan-2-yl]methyl}-N-methylmethanesulfonamide

• ChemBase ID: 523866
• Molecular Formular: C17H25N3O3S
• Molecular Mass: 351.4637
• Monoisotopic Mass: 351.16166268
• SMILES: S(=O)(=O)(N(Cc1oc(CN2C(c3n(ccc3)CC2)CC)cc1)C)C
• Canonical SMILES: CCC1N(CCn2c1ccc2)Cc1ccc(o1)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C17H25N3O3S/c1-4-16-17-6-5-9-19(17)10-11-20(16)13-15-8-7-14(23-15)12-18(2)24(3,21)22/h5-9,16H,4,10-13H2,1-3H3
• InChIKey: SXVLCNNHIFNEIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-({1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}methyl)furan-2-yl]methyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{[5-({1-ethyl-1H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}methyl)furan-2-yl]methyl}-N-methylmethanesulfonamide
• Synonyms: N-({5-[(1-ethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]-2-furyl}methyl)-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.46566144
• LogD (pH = 7.4): 1.0459393
• Log P: 1.2738272
• Molar Refractivity: 94.4034 cm^3
• Polarizability: 37.102753 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.8
• LOG S: -3.15
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 5