898782-66-6
ETHYL 7-OXO-7-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEPTANOATE
NameETHYL 7-OXO-7-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEPTANOATE
1Identification
【Name】
ETHYL 7-OXO-7-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEPTANOATE
【CAS】
【MDL】
MFCD03842798
【English Synonyms】
【Formula】
C20 H29 N O3 S
【MolWeight】
363.519
【Inchi】
InChI=1S/C20H29NO3S/c1-2-24-20(23)11-5-3-4-10-19(22)18-9-7-6-8-17(18)16-21-12-14-25-15-13-21/h6-9H,2-5,10-16H2,1H3
【InChIKey】
InChIKey=AQXQAWGUMRWGDB-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCC(=O)c1ccccc1CN2CCSCC2
【MOL File】
ETHYL 7-OXO-7-[2-(TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 7-OXO-7-[2-(THIOMORPHOLINOMETHYL)PHENYL]HEPTANOATE.cml