4-chloro-5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine

• ChemBase ID: 234284
• Molecular Formular: C17H10Cl2N2S2
• Molecular Mass: 377.3107
• Monoisotopic Mass: 375.96624569
• SMILES: c12c(nc(nc1Cl)Cc1sccc1)scc2c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1csc2c1c(Cl)nc(n2)Cc1cccs1
• InChI: InChI=1S/C17H10Cl2N2S2/c18-11-5-3-10(4-6-11)13-9-23-17-15(13)16(19)20-14(21-17)8-12-2-1-7-22-12/h1-7,9H,8H2
• InChIKey: XCVVNEHICVDLHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine
• IUPAC Traditional name: 4-chloro-5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine
• Synonyms: 4-chloro-5-(4-chlorophenyl)-2-(thien-2-ylmethyl)thieno[2,3-d]pyrimidine

Database IDs

• MDL Number: MFCD06660709
• PubChem SID: 164290194
• PubChem CID: 3815433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.5638676
• LogD (pH = 7.4): 6.563869
• Log P: 6.563869
• Molar Refractivity: 98.0583 cm^3
• Polarizability: 38.821228 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95%