1034045-86-7
5-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b]-[1,5]benzodiazepin-8-yl]-1,3,4-oxadiazole-2(3H)-thione
Name5-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b]-[1,5]benzodiazepin-8-yl]-1,3,4-oxadiazole-2(3H)-thione
1Identification
【Name】
5-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b]-[1,5]benzodiazepin-8-yl]-1,3,4-oxadiazole-2(3H)-thione
【CAS】
【MDL】
【English Synonyms】
【Formula】
C25H22F3N5O3S2
【MolWeight】
561.599
【Inchi】
InChI=1S/C25H22F3N5O3S2/c1-24(2,3)16-6-8-17(9-7-16)38(34,35)33-13-15-5-11-20(25(26,27)28)30-21(15)29-18-10-4-14(12-19(18)33)22-31-32-23(37)36-22/h4-12H,13H2,1-3H3,(H,29,30)(H,32,37)
【InChIKey】
InChIKey=KVTVFJJKQBLJJV-UHFFFAOYSA-N
【SMILES】
C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)N1CC2=C(NC3=C1C=C(C=C3)C3=NNC(O3)=S)N=C(C=C2)C(F)(F)F
【MOL File】
5-[6-[(4-tert-Butylp….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
5-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b]-[1,5]benzodiazepin-8-yl]-1,3,4-oxadiazole-2(3H)-thione.cml