{[2-cyclopropylmethanesulfonyl-1-(oxolan-2-ylmethyl)-1H-imidazol-5-yl]methyl}(2-methoxyethyl)methylamine

• ChemBase ID: 512457
• Molecular Formular: C17H29N3O4S
• Molecular Mass: 371.49486
• Monoisotopic Mass: 371.18787742
• SMILES: c1(S(=O)(=O)CC2CC2)n(c(cn1)CN(CCOC)C)CC1OCCC1
• Canonical SMILES: COCCN(Cc1cnc(n1CC1CCCO1)S(=O)(=O)CC1CC1)C
• InChI: InChI=1S/C17H29N3O4S/c1-19(7-9-23-2)11-15-10-18-17(25(21,22)13-14-5-6-14)20(15)12-16-4-3-8-24-16/h10,14,16H,3-9,11-13H2,1-2H3
• InChIKey: DVZUAMQECMDIAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-cyclopropylmethanesulfonyl-1-(oxolan-2-ylmethyl)-1H-imidazol-5-yl]methyl}(2-methoxyethyl)methylamine
• IUPAC Traditional name: {[2-cyclopropylmethanesulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl}(2-methoxyethyl)methylamine
• Synonyms: N-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-2-methoxy-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.33273718
• LogD (pH = 7.4): 0.75942993
• Log P: 0.7687883
• Molar Refractivity: 96.9638 cm^3
• Polarizability: 38.498447 Å^3
• Polar Surface Area: 73.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.9
• LOG S: 0.04
• Polar Surface Area: 73.66 Å^2
• Rotatable Bonds: 9