737814-05-0
11-METHYL-5-(MORPHOLIN-4-YLMETHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
Name11-METHYL-5-(MORPHOLIN-4-YLMETHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
1Identification
【Name】
11-METHYL-5-(MORPHOLIN-4-YLMETHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
【CAS】
【MDL】
MFCD03983298
【English Synonyms】
【Formula】
C16 H21 N3 O2 S
【MolWeight】
319.427
【Inchi】
InChI=1S/C16H21N3O2S/c1-10-2-3-11-12(8-10)22-16-14(11)15(20)17-13(18-16)9-19-4-6-21-7-5-19/h10H,2-9H2,1H3,(H,17,18,20)
【InChIKey】
InChIKey=HVQPGIBDTGOAMQ-UHFFFAOYSA-N
【SMILES】
CC1CCc2c(sc3c2c(=O)[nH]c(n3)CN4CCOCC4)C1
【MOL File】
11-METHYL-5-(MORPHOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
11-METHYL-5-(MORPHOLIN-4-YLMETHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE.cml