860651-27-0
2-(2-(4-(2-(METHYLSULFANYL)PHENYL)PIPERAZINO)ETHYL)-2H-PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONE
Name2-(2-(4-(2-(METHYLSULFANYL)PHENYL)PIPERAZINO)ETHYL)-2H-PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONE
1Identification
【Name】
2-(2-(4-(2-(METHYLSULFANYL)PHENYL)PIPERAZINO)ETHYL)-2H-PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONE
【CAS】
【MDL】
MFCD05668733
【English Synonyms】
【Formula】
C20 H24 N4 O2 S
【MolWeight】
384.502
【Inchi】
InChI=1S/C20H24N4O2S/c1-27-18-7-3-2-5-15(18)24-13-11-23(12-14-24)10-8-17-20(25)22-19-16(26-17)6-4-9-21-19/h2-7,9,17H,8,10-14H2,1H3,(H,21,22,25)
【InChIKey】
InChIKey=OXRDTXWCAFUSPL-UHFFFAOYSA-N
【SMILES】
CSc1ccccc1N2CCN(CC2)CCC3C(=O)Nc4c(cccn4)O3
【MOL File】
2-(2-(4-(2-(METHYLSU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(4-(2-(METHYLSULFANYL)PHENYL)PIPERAZINO)ETHYL)-2H-PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONE.cml