{[2-(cyclopentanesulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}(methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine

• ChemBase ID: 699357
• Molecular Formular: C19H30N4O4S
• Molecular Mass: 410.5309
• Monoisotopic Mass: 410.19877646
• SMILES: c1(S(=O)(=O)C2CCCC2)n(c(cn1)CN(Cc1onc(c1)C)C)CCCOC
• Canonical SMILES: COCCCn1c(cnc1S(=O)(=O)C1CCCC1)CN(Cc1onc(c1)C)C
• InChI: InChI=1S/C19H30N4O4S/c1-15-11-17(27-21-15)14-22(2)13-16-12-20-19(23(16)9-6-10-26-3)28(24,25)18-7-4-5-8-18/h11-12,18H,4-10,13-14H2,1-3H3
• InChIKey: JPEZEGXGULYDPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(cyclopentanesulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}(methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: {[2-(cyclopentanesulfonyl)-3-(3-methoxypropyl)imidazol-4-yl]methyl}(methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• Synonyms: 1-[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1939961
• LogD (pH = 7.4): 1.2757146
• Log P: 1.2768626
• Molar Refractivity: 108.4863 cm^3
• Polarizability: 42.198055 Å^3
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 1.15
• LOG S: -0.88
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 9