dimethyl({5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]furan-2-yl}methyl)amine

• ChemBase ID: 461083
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(C(=O)N2CCN(C3Cc4c(CC3)cccc4)CC2)oc(cc1)CN(C)C
• Canonical SMILES: CN(Cc1ccc(o1)C(=O)N1CCN(CC1)C1CCc2c(C1)cccc2)C
• InChI: InChI=1S/C22H29N3O2/c1-23(2)16-20-9-10-21(27-20)22(26)25-13-11-24(12-14-25)19-8-7-17-5-3-4-6-18(17)15-19/h3-6,9-10,19H,7-8,11-16H2,1-2H3
• InChIKey: YUACZFFBSPDMLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]furan-2-yl}methyl)amine
• IUPAC Traditional name: dimethyl({5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]furan-2-yl}methyl)amine
• Synonyms: N,N-dimethyl-1-(5-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-2-furyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2847332
• LogD (pH = 7.4): 1.9363427
• Log P: 2.5973608
• Molar Refractivity: 108.7394 cm^3
• Polarizability: 41.32002 Å^3
• Polar Surface Area: 39.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.65
• LOG S: -4.14
• Polar Surface Area: 39.93 Å^2
• Rotatable Bonds: 4