1-(diphenylmethyl)-4-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperazine

• ChemBase ID: 757426
• Molecular Formular: C22H27N3OS
• Molecular Mass: 381.53428
• Monoisotopic Mass: 381.1874835
• SMILES: C(=O)([C@H]1N(CSC1)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: CN1CSC[C@H]1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H27N3OS/c1-23-17-27-16-20(23)22(26)25-14-12-24(13-15-25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3/t20-/m0/s1
• InChIKey: OYTDBXVRXBRACL-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-4-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperazine
• IUPAC Traditional name: 1-(diphenylmethyl)-4-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperazine
• Synonyms: 1-(diphenylmethyl)-4-{[(4R)-3-methyl-1,3-thiazolidin-4-yl]carbonyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4451115
• LogD (pH = 7.4): 2.9721928
• Log P: 3.1425529
• Molar Refractivity: 112.6799 cm^3
• Polarizability: 44.2263 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.94
• LOG S: -4.49
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4