2-(ethylsulfanyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(ethylsulfanyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
Compound ID: | C679-2824 |
Compound Name: | 2-(ethylsulfanyl)-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Molecular Weight: | 387.4 |
Molecular Formula: | C15 H12 F3 N3 O2 S2 |
Smiles: | CCSC1=NN2C(=NC(COc3cccc(c3)C(F)(F)F)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.1669 |
logD: | 4.1663 |
logSw: | -4.2931 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 46.189 |
InChI Key: | VPVDOKCGQQRLKU-UHFFFAOYSA-N |