733031-27-1
10-(PIPERIDIN-1-YLMETHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-1(8),2(6),9-TRIEN-12-ONE
Name10-(PIPERIDIN-1-YLMETHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-1(8),2(6),9-TRIEN-12-ONE
1Identification
【Name】
10-(PIPERIDIN-1-YLMETHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-1(8),2(6),9-TRIEN-12-ONE
【CAS】
【MDL】
MFCD04635937
【English Synonyms】
【Formula】
C15 H19 N3 O S
【MolWeight】
289.401
【Inchi】
InChI=1S/C15H19N3OS/c19-14-13-10-5-4-6-11(10)20-15(13)17-12(16-14)9-18-7-2-1-3-8-18/h1-9H2,(H,16,17,19)
【InChIKey】
InChIKey=OTFRBZHXWUAZPO-UHFFFAOYSA-N
【SMILES】
C1CCN(CC1)Cc2[nH]c(=O)c3c4c(sc3n2)CCC4
【MOL File】
10-(PIPERIDIN-1-YLME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
10-(PIPERIDIN-1-YLMETHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-1(8),2(6),9-TRIEN-12-ONE.cml