N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

• ChemBase ID: 359251
• Molecular Formular: C14H25N5O3S
• Molecular Mass: 343.445
• Monoisotopic Mass: 343.16781069
• SMILES: S(=O)(=O)(N1Cc2n(nc(c2)CN2CCCOCC2)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCn2c(C1)cc(n2)CN1CCOCCC1)C
• InChI: InChI=1S/C14H25N5O3S/c1-16(2)23(20,21)18-5-6-19-14(12-18)10-13(15-19)11-17-4-3-8-22-9-7-17/h10H,3-9,11-12H2,1-2H3
• InChIKey: KPXQYVBRCCRJAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
• Synonyms: N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.5384486
• LogD (pH = 7.4): -1.4073999
• Log P: -1.3314624
• Molar Refractivity: 99.8133 cm^3
• Polarizability: 35.043324 Å^3
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.7
• LOG S: -0.55
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 2