2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]thiophen-3-amine

• ChemBase ID: 753667
• Molecular Formular: C19H23N3OS
• Molecular Mass: 341.47042
• Monoisotopic Mass: 341.15618337
• SMILES: c1(C(=O)N2CCN(C3Cc4c(CC3)cccc4)CC2)c(ccs1)N
• Canonical SMILES: Nc1ccsc1C(=O)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C19H23N3OS/c20-17-7-12-24-18(17)19(23)22-10-8-21(9-11-22)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7,12,16H,5-6,8-11,13,20H2
• InChIKey: URKPLSSUXCZPMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]thiophen-3-amine
• IUPAC Traditional name: 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]thiophen-3-amine
• Synonyms: (2-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-3-thienyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4652846
• LogD (pH = 7.4): 3.0822105
• Log P: 3.4096718
• Molar Refractivity: 99.5186 cm^3
• Polarizability: 37.185856 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.0
• LOG S: -4.25
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2