400076-28-0
ETHYL 4-[(2-CHLOROPHENYL)SULFANYL]-2-PHENYL-5-PYRIMIDINECARBOXYLATE
NameETHYL 4-[(2-CHLOROPHENYL)SULFANYL]-2-PHENYL-5-PYRIMIDINECARBOXYLATE
FormulaC19 H15 Cl N2 O2 S
1Identification
【Name】
ETHYL 4-[(2-CHLOROPHENYL)SULFANYL]-2-PHENYL-5-PYRIMIDINECARBOXYLATE
【CAS】
【MDL】
MFCD02185889
【English Synonyms】
【Formula】
C19 H15 Cl N2 O2 S
【MolWeight】
370.858
【Inchi】
InChI=1S/C19H15ClN2O2S/c1-2-24-19(23)14-12-21-17(13-8-4-3-5-9-13)22-18(14)25-16-11-7-6-10-15(16)20/h3-12H,2H2,1H3
【InChIKey】
InChIKey=OWBVNTPHIRCIEF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Sc2ccccc2Cl)c3ccccc3
【MOL File】
ETHYL 4-[(2-CHLOROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-[(2-CHLOROPHENYL)SULFANYL]-2-PHENYL-5-PYRIMIDINECARBOXYLATE.cml