5,7-dichloro-1,3,6-triphenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

• ChemBase ID: 85130
• Molecular Formular: C25H15Cl2N3O2
• Molecular Mass: 460.3115
• Monoisotopic Mass: 459.0541321
• SMILES: n1(c2ccccc2)c(=O)n(c2c(c(c(c(n2)Cl)c2ccccc2)Cl)c1=O)c1ccccc1
• Canonical SMILES: Clc1nc2c(c(c1c1ccccc1)Cl)c(=O)n(c(=O)n2c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H15Cl2N3O2/c26-21-19(16-10-4-1-5-11-16)22(27)28-23-20(21)24(31)30(18-14-8-3-9-15-18)25(32)29(23)17-12-6-2-7-13-17/h1-15H
• InChIKey: GAFRTJSWTRZKOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-1,3,6-triphenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
• IUPAC Traditional name: 5,7-dichloro-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4-dione
• Synonyms: 5,7-dichloro-1,3,6-triphenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione

Database IDs

• MDL Number: MFCD00831884
• PubChem SID: 162072246
• PubChem CID: 2785925

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.602884
• LogD (pH = 7.4): 6.602884
• Log P: 6.602884
• Molar Refractivity: 125.3076 cm^3
• Polarizability: 48.711 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false