578005-66-0
3-[(4-CHLOROPHENYL)SULFONYL]-1-ETHYL-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE
Name3-[(4-CHLOROPHENYL)SULFONYL]-1-ETHYL-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE
FormulaC19 H15 Cl N4 O3 S
1Identification
【Name】
3-[(4-CHLOROPHENYL)SULFONYL]-1-ETHYL-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE
【CAS】
【MDL】
MFCD03722933
【English Synonyms】
【Formula】
C19 H15 Cl N4 O3 S
【MolWeight】
414.871
【Inchi】
InChI=1S/C19H15ClN4O3S/c1-2-23-17(21)15(28(26,27)13-8-6-12(20)7-9-13)11-14-18(23)22-16-5-3-4-10-24(16)19(14)25/h3-11,21H,2H2,1H3
【InChIKey】
InChIKey=AQBSQHRXYILVSB-UHFFFAOYSA-N
【SMILES】
CCn1c(=N)c(cc2c1nc3ccccn3c2=O)S(=O)(=O)c4ccc(cc4)Cl
【MOL File】
3-[(4-CHLOROPHENYL)S….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(4-CHLOROPHENYL)SULFONYL]-1-ETHYL-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE.cml