N-methyl-N-(2-phenylethyl)-2-(thiomorpholine-4-carbonyl)-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 655061
• Molecular Formular: C23H28N2OS
• Molecular Mass: 380.54622
• Monoisotopic Mass: 380.19223453
• SMILES: C1(C(=O)N2CCSCC2)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)N1CCSCC1)CCc1ccccc1
• InChI: InChI=1S/C23H28N2OS/c1-24(12-11-19-7-3-2-4-8-19)23(22(26)25-13-15-27-16-14-25)17-20-9-5-6-10-21(20)18-23/h2-10H,11-18H2,1H3
• InChIKey: UAPXACVSURQPIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenylethyl)-2-(thiomorpholine-4-carbonyl)-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-methyl-N-(2-phenylethyl)-2-(thiomorpholine-4-carbonyl)-1,3-dihydroinden-2-amine
• Synonyms: N-methyl-N-(2-phenylethyl)-2-(4-thiomorpholinylcarbonyl)-2-indanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1888828
• LogD (pH = 7.4): 2.94766
• Log P: 4.0237923
• Molar Refractivity: 114.8032 cm^3
• Polarizability: 44.46883 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.27
• LOG S: -5.62
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5