848944-82-1
5-(2-CHLOROPHENYL)-8-(4-CHLOROPHENYL)-1,4,7,8-TETRAHYDRO-2-METHYL-4,7-DIOXO-PYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILE
Name5-(2-CHLOROPHENYL)-8-(4-CHLOROPHENYL)-1,4,7,8-TETRAHYDRO-2-METHYL-4,7-DIOXO-PYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILE
1Identification
【Name】
5-(2-CHLOROPHENYL)-8-(4-CHLOROPHENYL)-1,4,7,8-TETRAHYDRO-2-METHYL-4,7-DIOXO-PYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILE
【CAS】
【MDL】
MFCD17017933
【English Synonyms】
【Formula】
C21 H12 Cl2 N4 O2
【MolWeight】
423.258
【Inchi】
InChI=1S/C21H12Cl2N4O2/c1-11-25-19-18(20(28)26-11)17(14-4-2-3-5-16(14)23)15(10-24)21(29)27(19)13-8-6-12(22)7-9-13/h2-9H,1H3,(H,25,26,28)
【InChIKey】
InChIKey=RDHBCBDGMNGADN-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c2c(c(c(c(=O)n2c3ccc(cc3)Cl)C#N)c4ccccc4Cl)c(=O)n1
【MOL File】
5-(2-CHLOROPHENYL)-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-CHLOROPHENYL)-8-(4-CHLOROPHENYL)-1,4,7,8-TETRAHYDRO-2-METHYL-4,7-DIOXO-PYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILE.cml